AC1MEXNO

5-acetyl-6-(3,4-dimethoxyphenyl)-9-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Also Known As: ChemDiv1_005526|Oprea1_138994|HMS602L04|5-acetyl-6-(3,4-dimethoxyphenyl)-9-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one|AK-968/15360981|SR-01000450515-1|10-acetyl-11-(3,4-dimethoxyphenyl)-3-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|10-acetyl-11-(3,4-dimethoxyphenyl)-3-{3-nitrophenyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Molecular Formula	C29H27N3O6
Molecular Weight	513.19 g/mol
LogP	5.5325
Topological Polar Surface Area	111.01 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	513.19
Monoisotopic Mass	513.19
Heavy Atoms	38
Complexity	1480.6401

Chemical Identifiers

CAS Number	362001-05-6
SMILES	CC(=O)N1C(C2=C(CC(CC2=O)C3=CC(=CC=C3)[N+](=O)[O-])NC4=CC=CC=C41)C5=CC(=C(C=C5)OC)OC