AC1MFBG6

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

Also Known As: CBMicro_047680|ChemDiv1_006172|MixCom6_002624|Oprea1_221528|HMS604I12|BIM-0047643.P001|11-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|J2.677.143I|SR-01000455167-1|10-(3-bromophenyl)-14-(3,4-dimethoxyphenyl)-2,9-diazatricyclo[9.4.0.0(3),?]pentadeca-1(11),3,5,7-tetraen-12-one|10-(3-bromophenyl)-14-(3,4-dimethoxyphenyl)-2,9-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7-tetraen-12-one|3-(3,4-Dimethoxyphenyl)-11-(3-bromophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-1-one|3-(3,4-dimethoxyphenyl)-11-(3-bromophenyl)-2,3,4-trihydro-5H,10H,11H-benzo[b]b enzo[2,1-f]1,4-diazepin-1-one|6-(3-bromophenyl)-9-(3,4-dimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one

Molecular Formula	C27H25BrN2O3
Molecular Weight	504.10486 g/mol
LogP	6.4458
Topological Polar Surface Area	59.59 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	504.10486
Monoisotopic Mass	504.10486
Heavy Atoms	33
Complexity	1253.6188

Chemical Identifiers

CAS Number	6239-53-8
SMILES	COC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=CC=C5)Br)C(=O)C2)OC