N-(3-chloro-2-methylphenyl)-2-(2-oxo-5-phenyl-2,3,6,7,8,9-hexahydro-1H-[1]benzothieno[2,3-e][1,4]diazepin-1-yl)acetamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-(2-oxo-5-phenyl-2,3,6,7,8,9-hexahydro-1H-[1]benzothieno[2,3-e][1,4]diazepin-1-yl)acetamide
N-(3-chloro-2-methylphenyl)-2-(2-oxo-5-phenyl-2,3,6,7,8,9-hexahydro-1H-[1]benzothieno[2,3-e][1,4]diazepin-1-yl)acetamide
Compound characteristics
| Compound ID: | C798-0545 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-(2-oxo-5-phenyl-2,3,6,7,8,9-hexahydro-1H-[1]benzothieno[2,3-e][1,4]diazepin-1-yl)acetamide |
| Molecular Weight: | 478.01 |
| Molecular Formula: | C26 H24 Cl N3 O2 S |
| Smiles: | Cc1c(cccc1[Cl])NC(CN1C(CN=C(c2ccccc2)c2c3CCCCc3sc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4047 |
| logD: | 5.4044 |
| logSw: | -5.983 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.765 |
| InChI Key: | QDQNTVNMMOOFTJ-UHFFFAOYSA-N |