N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Chemical Structure Depiction of
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Compound characteristics
| Compound ID: | C756-0215 |
| Compound Name: | N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide |
| Molecular Weight: | 386.53 |
| Molecular Formula: | C20 H22 N2 O2 S2 |
| Smiles: | CSc1ccc(CCNC(CN2C(CCSc3ccccc23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3122 |
| logD: | 3.3122 |
| logSw: | -3.7044 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.263 |
| InChI Key: | FQKPZWRROMQDDE-UHFFFAOYSA-N |