AC1MEYEQ

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

Also Known As: Oprea1_313508|AK-968/15360974|3-benzoyl-6-(3-nitrophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one|11-(3-nitrophenyl)-8-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|6-benzoyl-10-(3-nitrophenyl)-2,9-diazatricyclo[9.4.0.0(3),?]pentadeca-1(11),3(8),4,6-tetraen-12-one|8-BENZOYL-11-(3-NITROPHENYL)-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE|8-benzoyl-11-{3-nitrophenyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Molecular Formula	C26H21N3O4
Molecular Weight	439.1532 g/mol
LogP	5.4116
Topological Polar Surface Area	101.34 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	439.1532
Monoisotopic Mass	439.1532
Heavy Atoms	33
Complexity	1314.1221

Chemical Identifiers

CAS Number	354538-53-7
SMILES	C1CC2=C(C(NC3=C(N2)C=CC(=C3)C(=O)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)C1