3-(4-tert-butylphenyl)-10-(2-methylpropanoyl)-11-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(4-tert-butylphenyl)-10-(2-methylpropanoyl)-11-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(4-tert-butylphenyl)-10-(2-methylpropanoyl)-11-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8013-5331 |
| Compound Name: | 3-(4-tert-butylphenyl)-10-(2-methylpropanoyl)-11-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 537.66 |
| Molecular Formula: | C33 H35 N3 O4 |
| Smiles: | CC(C)C(N1C(C2=C(CC(CC2=O)c2ccc(cc2)C(C)(C)C)Nc2ccccc12)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.8311 |
| logD: | 7.5112 |
| logSw: | -5.6391 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.546 |
| InChI Key: | LLYWPZMAOVCHNV-UHFFFAOYSA-N |