AC1MR4HD
9-(3,4-dimethoxyphenyl)-6-(3-nitrophenyl)-5-propanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: Oprea1_172918|Oprea1_329560|AK-968/15360471|9-(3,4-dimethoxyphenyl)-6-(3-nitrophenyl)-5-propanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one|3-(3,4-dimethoxyphenyl)-11-(3-nitrophenyl)-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|3-(3,4-DIMETHOXYPHENYL)-11-(3-NITROPHENYL)-10-PROPIONYL-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE|3-(3,4-dimethoxyphenyl)-11-{3-nitrophenyl}-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C30H29N3O6 |
|---|---|
| Molecular Weight | 527.2056 g/mol |
| LogP | 5.9226 |
| Topological Polar Surface Area | 111.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 527.2056 |
| Monoisotopic Mass | 527.2056 |
| Heavy Atoms | 39 |
| Complexity | 1497.518 |
Chemical Identifiers
| CAS Number | 445289-03-2 |
|---|---|
| SMILES | CCC(=O)N1C(C2=C(CC(CC2=O)C3=CC(=C(C=C3)OC)OC)NC4=CC=CC=C41)C5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
AC1MR4HD (CAS 445289-03-2), with molecular formula C30H29N3O6 and molecular weight 527.2056 g/mol. IUPAC: 9-(3,4-dimethoxyphenyl)-6-(3-nitrophenyl)-5-propanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.