AC1MFIJA
6-(2-butoxyphenyl)-9-(3,4-dimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: CBMicro_021874|BAS 04377942|BIM-0022073.P001|SR-01000457610-1|11-(2-butoxyphenyl)-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|6-(2-butoxyphenyl)-9-(3,4-dimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one|3-(3,4-dimethoxyphenyl)-11-(2-butoxyphenyl)-2,3,4-trihydro-5H,10H,11H-benzo[b] benzo[2,1-f]1,4-diazepin-1-one
| Molecular Formula | C31H34N2O4 |
|---|---|
| Molecular Weight | 498.25186 g/mol |
| LogP | 6.8622 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 498.25186 |
| Monoisotopic Mass | 498.25186 |
| Heavy Atoms | 37 |
| Complexity | 1316.0651 |
Chemical Identifiers
| CAS Number | 347352-67-4 |
|---|---|
| SMILES | CCCCOC1=CC=CC=C1C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC)OC)NC5=CC=CC=C5N2 |
Product Overview
AC1MFIJA (CAS 347352-67-4), with molecular formula C31H34N2O4 and molecular weight 498.25186 g/mol. IUPAC: 6-(2-butoxyphenyl)-9-(3,4-dimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
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