N-[(4-fluorophenyl)methyl]-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
N-[(4-fluorophenyl)methyl]-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Compound characteristics
| Compound ID: | C714-0057 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide |
| Molecular Weight: | 344.41 |
| Molecular Formula: | C18 H17 F N2 O2 S |
| Smiles: | C1CSc2ccccc2N(CC(NCc2ccc(cc2)F)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.8473 |
| logD: | 2.8473 |
| logSw: | -3.3355 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.421 |
| InChI Key: | WHDRSYDUGYCTSL-UHFFFAOYSA-N |