N-(azepane-1-carbothioyl)-2-chlorobenzamide
Chemical Structure Depiction of
N-(azepane-1-carbothioyl)-2-chlorobenzamide
N-(azepane-1-carbothioyl)-2-chlorobenzamide
Compound characteristics
| Compound ID: | 1988-2101 |
| Compound Name: | N-(azepane-1-carbothioyl)-2-chlorobenzamide |
| Molecular Weight: | 296.82 |
| Molecular Formula: | C14 H17 Cl N2 O S |
| Smiles: | C1CCCN(CC1)C(NC(c1ccccc1[Cl])=O)=S |
| Stereo: | ACHIRAL |
| logP: | 3.5407 |
| logD: | 3.5386 |
| logSw: | -4.017 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.6465 |
| InChI Key: | XTSITMAKTFEFFR-UHFFFAOYSA-N |