2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)-N-[3-(propylsulfanyl)propyl]acetamide
Chemical Structure Depiction of
2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)-N-[3-(propylsulfanyl)propyl]acetamide
2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)-N-[3-(propylsulfanyl)propyl]acetamide
Compound characteristics
| Compound ID: | C756-0202 |
| Compound Name: | 2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)-N-[3-(propylsulfanyl)propyl]acetamide |
| Molecular Weight: | 352.52 |
| Molecular Formula: | C17 H24 N2 O2 S2 |
| Smiles: | CCCSCCCNC(CN1C(CCSc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5675 |
| logD: | 2.5675 |
| logSw: | -2.8266 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.534 |
| InChI Key: | GBPYWIVGOHTVQJ-UHFFFAOYSA-N |