N-(2,4-difluorophenyl)-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Chemical Structure Depiction of
N-(2,4-difluorophenyl)-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
N-(2,4-difluorophenyl)-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Compound characteristics
| Compound ID: | C756-0046 |
| Compound Name: | N-(2,4-difluorophenyl)-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide |
| Molecular Weight: | 348.37 |
| Molecular Formula: | C17 H14 F2 N2 O2 S |
| Smiles: | C1CSc2ccccc2N(CC(Nc2ccc(cc2F)F)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.1563 |
| logD: | 3.1404 |
| logSw: | -3.3765 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.401 |
| InChI Key: | CPCACBOYDDXTFB-UHFFFAOYSA-N |