N-(4-acetylphenyl)-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
N-(4-acetylphenyl)-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Compound characteristics
| Compound ID: | C714-0050 |
| Compound Name: | N-(4-acetylphenyl)-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C19 H18 N2 O3 S |
| Smiles: | CC(c1ccc(cc1)NC(CN1C(CCSc2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7825 |
| logD: | 2.7821 |
| logSw: | -3.2826 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.926 |
| InChI Key: | OWVTXAURKMMMQR-UHFFFAOYSA-N |