N-[3-(cyclohexylsulfanyl)propyl]-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Chemical Structure Depiction of
N-[3-(cyclohexylsulfanyl)propyl]-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
N-[3-(cyclohexylsulfanyl)propyl]-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Compound characteristics
| Compound ID: | C756-0204 |
| Compound Name: | N-[3-(cyclohexylsulfanyl)propyl]-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide |
| Molecular Weight: | 392.58 |
| Molecular Formula: | C20 H28 N2 O2 S2 |
| Smiles: | C1CCC(CC1)SCCCNC(CN1C(CCSc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6765 |
| logD: | 3.6765 |
| logSw: | -3.8415 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.455 |
| InChI Key: | RYMBASMOIRRXOD-UHFFFAOYSA-N |