AC1MFAY9
9-(3,4-dimethoxyphenyl)-6-(3-methoxy-4-phenylmethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: CBMicro_047671|MixCom6_002615|Oprea1_482136|BIM-0047566.P001|SR-01000455268-1|A2358/0099606|11-[4-(benzyloxy)-3-methoxyphenyl]-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|9-(3,4-dimethoxyphenyl)-6-(3-methoxy-4-phenylmethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one|1H-Dibenzo[b,e][1,4]diazepin-1-one, 3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-11-[3-methoxy-4-(phenylmethoxy)phenyl]-|6-(4-benzyloxy-3-methoxy-phenyl)-9-(3,4-dimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C35H34N2O5 |
|---|---|
| Molecular Weight | 562.24677 g/mol |
| LogP | 7.2709 |
| Topological Polar Surface Area | 78.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 562.24677 |
| Monoisotopic Mass | 562.24677 |
| Heavy Atoms | 42 |
| Complexity | 1631.9581 |
Chemical Identifiers
| CAS Number | 297159-71-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=C(C=C5)OCC6=CC=CC=C6)OC)C(=O)C2)OC |
Product Overview
AC1MFAY9 (CAS 297159-71-8), with molecular formula C35H34N2O5 and molecular weight 562.24677 g/mol. IUPAC: 9-(3,4-dimethoxyphenyl)-6-(3-methoxy-4-phenylmethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.