2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)-N-(3-phenylpropyl)acetamide
Chemical Structure Depiction of
2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)-N-(3-phenylpropyl)acetamide
2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)-N-(3-phenylpropyl)acetamide
Compound characteristics
| Compound ID: | C756-0063 |
| Compound Name: | 2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)-N-(3-phenylpropyl)acetamide |
| Molecular Weight: | 354.47 |
| Molecular Formula: | C20 H22 N2 O2 S |
| Smiles: | C(Cc1ccccc1)CNC(CN1C(CCSc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5694 |
| logD: | 3.5694 |
| logSw: | -3.7198 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.263 |
| InChI Key: | PGUINJCOFUIIKE-UHFFFAOYSA-N |