4506 -OEChem-08052608013D 32 34 0 0 0 0 0 0 0999 V2000 1.4030 4.3862 -0.4132 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4832 -1.7967 0.0442 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.7394 -2.7420 0.9850 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2974 2.8785 -0.6929 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8382 1.4124 0.8593 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2781 -1.7755 0.3932 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3678 0.5429 0.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9657 1.6650 -0.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1067 0.4555 0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 -0.8098 0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1508 -0.5864 0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3112 1.5950 -0.8197 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2093 2.6624 1.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4999 -0.6222 0.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8093 3.3739 -0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0754 0.4608 -0.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3305 -1.5954 -0.9949 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9420 -1.1876 0.7581 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9901 -2.7790 -1.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6018 -2.3712 0.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1258 -3.1668 -0.6152 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6933 -1.4347 0.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7142 3.4823 -1.3971 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7876 2.4396 -1.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9366 3.2847 1.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 2.5343 1.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1187 0.4638 -0.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4759 -1.3065 -1.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3260 -0.5894 1.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6254 -3.3941 -2.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4852 -2.6743 0.9813 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6405 -4.0874 -0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 6 1 0 0 0 0 3 6 2 0 0 0 0 4 8 1 0 0 0 0 4 15 1 0 0 0 0 4 23 1 0 0 0 0 5 9 2 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 10 17 2 0 0 0 0 10 18 1 0 0 0 0 11 14 2 0 0 0 0 11 22 1 0 0 0 0 12 16 2 0 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 16 1 0 0 0 0 16 27 1 0 0 0 0 17 19 1 0 0 0 0 17 28 1 0 0 0 0 18 20 2 0 0 0 0 18 29 1 0 0 0 0 19 21 2 0 0 0 0 19 30 1 0 0 0 0 20 21 1 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 M CHG 2 2 -1 6 1 M END > 4506 > 0.6 > 1 2 > 30 1 -0.57 10 0.09 11 -0.15 12 -0.15 13 0.31 14 0.13 15 0.57 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.52 20 -0.15 21 -0.15 22 0.15 23 0.37 24 0.15 27 0.15 28 0.15 29 0.15 3 -0.52 30 0.15 31 0.15 32 0.15 4 -0.55 5 -0.7 6 0.91 7 0.09 8 0.12 9 0.28 > 2.4 > 9 1 1 acceptor 1 2 acceptor 1 2 anion 1 3 acceptor 1 4 donor 1 5 acceptor 6 10 17 18 19 20 21 rings 6 7 8 11 12 14 16 rings 7 4 5 7 8 9 13 15 rings > 21 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 0000119A00000001 > 86.9453 > 45.764 > 11578080 2 16300878353128395620 11680986 33 18339629101529708465 12173636 292 17183906865913087868 12363563 72 18339083692027779055 12553582 1 18267881505056173047 12788726 201 17833827170893919242 12839892 36 17690265432398674371 13140716 1 18268989791470491946 14022347 108 18120664521811227083 14115302 16 18044101141833501870 14790565 3 17905615749640243240 14863182 85 17541392670769048583 15415430 2 17836362644670497871 16752209 62 17471565530166720736 16945 1 18046895254388473185 19591789 44 17834116725052273180 20028762 73 16468977510263932183 20510252 161 17692526711242267176 20600515 1 18124602985183727564 20645477 70 18120080939362735095 21452121 199 18335139778331042166 21665056 4 17114107664294676622 23184049 29 18335979757769829058 23419403 2 17752736247020085566 23557571 272 17983294825103755846 23559900 14 18337662122487737449 2748010 2 18268972268035832304 3060560 45 17904485456092126700 3084891 72 17761201125397415397 314173 41 18409168775190274307 458136 41 17907313382924002737 7364860 26 18267024045005565401 81228 2 17838904732966056392 8809292 202 17837770024192104702 9709674 26 17695622953535621606 > 399.62 5.87 4.78 1.04 4.63 2.61 -0.04 -5.27 -0.74 -3.6 0.48 0.28 -0.04 1.29 > 882.798 > 212.2 > 2 5 10 $$$$

Nitrazepam

Chemistry

Also known as