AC1MFB9U
6-(3-bromo-4,5-dimethoxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: CBMicro_047600|ChemDiv1_006088|MixCom6_002544|Oprea1_749769|HMS604E16|BIM-0047622.P001|SR-01000455219-1|A2387/0101003|11-(3-bromo-4,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|6-(3-bromo-4,5-dimethoxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one|10-(3-bromo-4,5-dimethoxyphenyl)-14-(4-methoxyphenyl)-2,9-diazatricyclo[9.4.0.0(3),?]pentadeca-1(11),3,5,7-tetraen-12-one|6-(3-bromo-4,5-dimethoxy-phenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C28H27BrN2O4 |
|---|---|
| Molecular Weight | 534.1154 g/mol |
| LogP | 6.4544 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 534.1154 |
| Monoisotopic Mass | 534.1154 |
| Heavy Atoms | 35 |
| Complexity | 1302.8094 |
Chemical Identifiers
| CAS Number | 297159-31-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=C(C(=C5)Br)OC)OC)C(=O)C2 |
Product Overview
AC1MFB9U (CAS 297159-31-0), with molecular formula C28H27BrN2O4 and molecular weight 534.1154 g/mol. IUPAC: 6-(3-bromo-4,5-dimethoxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.