3-(2-chlorophenyl)-11-(5-methylthiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(2-chlorophenyl)-11-(5-methylthiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(2-chlorophenyl)-11-(5-methylthiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | K813-0062 |
| Compound Name: | 3-(2-chlorophenyl)-11-(5-methylthiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 420.96 |
| Molecular Formula: | C24 H21 Cl N2 O S |
| Smiles: | Cc1ccc(C2C3=C(CC(CC3=O)c3ccccc3[Cl])Nc3ccccc3N2)s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1798 |
| logD: | 6.1527 |
| logSw: | -6.0397 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 37.495 |
| InChI Key: | XVBVQFAINLAVPI-UHFFFAOYSA-N |