AC1MJIE5
3-benzoyl-6-(3,4-dimethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: Oprea1_273574|Oprea1_424905|BAS 02101854|8-benzoyl-11-(3,4-dimethoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|AK-968/15361003|3-benzoyl-6-(3,4-dimethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one|11-(3,4-dimethoxyphenyl)-3,3-dimethyl-8-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|11-(3,4-dimethoxyphenyl)-3,3-dimethyl-8-(phenylcarbonyl)-2,3,4-trihydro-5H,10H ,11H-benzo[b]benzo[2,1-f]1,4-diazepin-1-one
| Molecular Formula | C30H30N2O4 |
|---|---|
| Molecular Weight | 482.22055 g/mol |
| LogP | 6.1567 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 482.22055 |
| Monoisotopic Mass | 482.22055 |
| Heavy Atoms | 36 |
| Complexity | 1374.9512 |
Chemical Identifiers
| CAS Number | 354538-75-3 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=C(N2)C=CC(=C3)C(=O)C4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC)C(=O)C1)C |
Product Overview
AC1MJIE5 (CAS 354538-75-3), with molecular formula C30H30N2O4 and molecular weight 482.22055 g/mol. IUPAC: 3-benzoyl-6-(3,4-dimethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one.