ChemDiv1_005528
6-(4-methylphenyl)-9-(3-nitrophenyl)-5-propanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_005528|Oprea1_057341|HMS602L06|SR-01000450530-1|1-[1-hydroxy-11-(4-methylphenyl)-3-(3-nitrophenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]propan-1-one|11-(4-methylphenyl)-3-(3-nitrophenyl)-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|3-(3-nitrophenyl)-10-propionyl-11-(p-tolyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|6-(4-methylphenyl)-9-(3-nitrophenyl)-5-propanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C29H27N3O4 |
|---|---|
| Molecular Weight | 481.20016 g/mol |
| LogP | 6.21382 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 481.20016 |
| Monoisotopic Mass | 481.20016 |
| Heavy Atoms | 36 |
| Complexity | 1393.6381 |
Chemical Identifiers
| CAS Number | 362001-27-2 |
|---|---|
| SMILES | CCC(=O)N1C(C2=C(CC(CC2=O)C3=CC(=CC=C3)[N+](=O)[O-])NC4=CC=CC=C41)C5=CC=C(C=C5)C |
Product Overview
ChemDiv1_005528 (CAS 362001-27-2), with molecular formula C29H27N3O4 and molecular weight 481.20016 g/mol. IUPAC: 6-(4-methylphenyl)-9-(3-nitrophenyl)-5-propanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.