3-(4-methylphenyl)-11-[4-(propan-2-yl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(4-methylphenyl)-11-[4-(propan-2-yl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(4-methylphenyl)-11-[4-(propan-2-yl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8014-5295 |
| Compound Name: | 3-(4-methylphenyl)-11-[4-(propan-2-yl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 422.57 |
| Molecular Formula: | C29 H30 N2 O |
| Smiles: | CC(C)c1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(C)cc2)Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.0385 |
| logD: | 7.0222 |
| logSw: | -5.724 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 36.477 |
| InChI Key: | JLXYVCYEFVJUGG-UHFFFAOYSA-N |