3,11-bis(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3,11-bis(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3,11-bis(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8014-6816 |
| Compound Name: | 3,11-bis(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 394.52 |
| Molecular Formula: | C27 H26 N2 O |
| Smiles: | Cc1ccc(cc1)C1CC2=C(C(c3ccc(C)cc3)Nc3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1237 |
| logD: | 6.1074 |
| logSw: | -5.5878 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 36.477 |
| InChI Key: | KZEMHAYHFISAOW-UHFFFAOYSA-N |