AC1MEITE

9-(4-methoxyphenyl)-6-(4-methyl-3-nitrophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one

Also Known As: Oprea1_417157|Oprea1_850510|BAS 01404076|AB00101684-01|AG-690/13704331|SR-01000427415-1|3-(4-methoxyphenyl)-11-(4-methyl-3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|9-(4-methoxyphenyl)-6-(4-methyl-3-nitrophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one|11-{3-nitro-4-methylphenyl}-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|14-(4-methoxyphenyl)-10-(4-methyl-3-nitrophenyl)-2,9-diazatricyclo[9.4.0.0(3),?]pentadeca-1(11),3,5,7-tetraen-12-one|3-(4-methoxyphenyl)-11-(4-methyl-3-nitrophenyl)-2,3,4-trihydro-5H,10H,11H-benz o[b]benzo[2,1-f]1,4-diazepin-1-one|9-(4-methoxyphenyl)-6-(4-methyl-3-nitro-phenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one

Molecular Formula	C27H25N3O4
Molecular Weight	455.1845 g/mol
LogP	5.89132
Topological Polar Surface Area	93.5 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	455.1845
Monoisotopic Mass	455.1845
Heavy Atoms	34
Complexity	1313.7054

Chemical Identifiers

CAS Number	330558-63-9
SMILES	CC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC5=CC=CC=C5N2)[N+](=O)[O-]