N-(4-methylphenyl)-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Chemical Structure Depiction of
N-(4-methylphenyl)-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
N-(4-methylphenyl)-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Compound characteristics
| Compound ID: | C714-0012 |
| Compound Name: | N-(4-methylphenyl)-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: | Cc1ccc(cc1)NC(CN1C(CCSc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6638 |
| logD: | 3.6638 |
| logSw: | -3.8709 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.099 |
| InChI Key: | QQHCVYXCKWCISF-UHFFFAOYSA-N |