10-acetyl-11-(4-methylphenyl)-3-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
10-acetyl-11-(4-methylphenyl)-3-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-acetyl-11-(4-methylphenyl)-3-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3393-0068 |
| Compound Name: | 10-acetyl-11-(4-methylphenyl)-3-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 467.52 |
| Molecular Formula: | C28 H25 N3 O4 |
| Smiles: | CC(N1C(C2=C(CC(CC2=O)c2cccc(c2)[N+]([O-])=O)Nc2ccccc12)c1ccc(C)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3464 |
| logD: | 5.0266 |
| logSw: | -5.3469 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.014 |
| InChI Key: | XAPORIVUGJOOOQ-UHFFFAOYSA-N |