N-[2-(4-methylphenyl)ethyl]-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Chemical Structure Depiction of
N-[2-(4-methylphenyl)ethyl]-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
N-[2-(4-methylphenyl)ethyl]-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Compound characteristics
| Compound ID: | C756-0088 |
| Compound Name: | N-[2-(4-methylphenyl)ethyl]-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide |
| Molecular Weight: | 354.47 |
| Molecular Formula: | C20 H22 N2 O2 S |
| Smiles: | Cc1ccc(CCNC(CN2C(CCSc3ccccc23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0163 |
| logD: | 3.0163 |
| logSw: | -3.3924 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.263 |
| InChI Key: | MASPDTZMOJBPSL-UHFFFAOYSA-N |