AC1NNWQC
5-benzoyl-9-(4-methylphenyl)-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: AK-968/41025636|5-benzoyl-9-(4-methylphenyl)-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one|10-benzoyl-11-{3-nitrophenyl}-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|10-BENZOYL-3-(4-METHYLPHENYL)-11-(3-NITROPHENYL)-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE|3-(4-methylphenyl)-11-(3-nitrophenyl)-10-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C33H27N3O4 |
|---|---|
| Molecular Weight | 529.20013 g/mol |
| LogP | 7.11762 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 529.20013 |
| Monoisotopic Mass | 529.20013 |
| Heavy Atoms | 40 |
| Complexity | 1660.8784 |
Chemical Identifiers
| CAS Number | 445243-70-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C5=CC=CC=C5)C6=CC(=CC=C6)[N+](=O)[O-])C(=O)C2 |
Product Overview
AC1NNWQC (CAS 445243-70-9), with molecular formula C33H27N3O4 and molecular weight 529.20013 g/mol. IUPAC: 5-benzoyl-9-(4-methylphenyl)-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.