AC1MELCQ
5-acetyl-6-(3,4-dimethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: Oprea1_466955|5-acetyl-6-(3,4-dimethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one|AB00091410-01|AK-968/37055091|SR-01000215516-1|10-acetyl-11-(3,4-dimethoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|1-[11-(3,4-dimethoxyphenyl)-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone
| Molecular Formula | C25H28N2O4 |
|---|---|
| Molecular Weight | 420.2049 g/mol |
| LogP | 4.8667 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.2049 |
| Monoisotopic Mass | 420.2049 |
| Heavy Atoms | 31 |
| Complexity | 1086.6796 |
Chemical Identifiers
| CAS Number | 354543-64-9 |
|---|---|
| SMILES | CC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC(=C(C=C4)OC)OC |
Product Overview
AC1MELCQ (CAS 354543-64-9), with molecular formula C25H28N2O4 and molecular weight 420.2049 g/mol. IUPAC: 5-acetyl-6-(3,4-dimethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
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