AC1MYQNR
9-(4-methoxyphenyl)-5-(3,4,5-trimethoxybenzoyl)-6-(3,4,5-trimethoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: [1-hydroxy-3-(4-methoxyphenyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl](3,4,5-trimethoxyphenyl)methanone|14-(4-methoxyphenyl)-9-(3,4,5-trimethoxybenzoyl)-10-(3,4,5-trimethoxyphenyl)-2,9-diazatricyclo[9.4.0.0(3),?]pentadeca-1(11),3,5,7-tetraen-12-one|3-(4-methoxyphenyl)-10-(3,4,5-trimethoxybenzoyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|9-(4-methoxyphenyl)-5-(3,4,5-trimethoxybenzoyl)-6-(3,4,5-trimethoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C39H40N2O9 |
|---|---|
| Molecular Weight | 680.2734 g/mol |
| LogP | 6.9612 |
| Topological Polar Surface Area | 114.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 680.2734 |
| Monoisotopic Mass | 680.2734 |
| Heavy Atoms | 50 |
| Complexity | 1903.637 |
Chemical Identifiers
| CAS Number | 900287-97-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C5=CC(=C(C(=C5)OC)OC)OC)C6=CC(=C(C(=C6)OC)OC)OC)C(=O)C2 |
Product Overview
AC1MYQNR (CAS 900287-97-0), with molecular formula C39H40N2O9 and molecular weight 680.2734 g/mol. IUPAC: 9-(4-methoxyphenyl)-5-(3,4,5-trimethoxybenzoyl)-6-(3,4,5-trimethoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.