N-benzyl-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Chemical Structure Depiction of
N-benzyl-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
N-benzyl-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Compound characteristics
| Compound ID: | C714-0056 |
| Compound Name: | N-benzyl-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide |
| Molecular Weight: | 326.42 |
| Molecular Formula: | C18 H18 N2 O2 S |
| Smiles: | C1CSc2ccccc2N(CC(NCc2ccccc2)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.8182 |
| logD: | 2.8182 |
| logSw: | -3.2873 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.421 |
| InChI Key: | JFHBOQDLCXEHNP-UHFFFAOYSA-N |