N-(4-ethoxyphenyl)azepane-1-carbothioamide
Chemical Structure Depiction of
N-(4-ethoxyphenyl)azepane-1-carbothioamide
N-(4-ethoxyphenyl)azepane-1-carbothioamide
Compound characteristics
| Compound ID: | K786-4446 |
| Compound Name: | N-(4-ethoxyphenyl)azepane-1-carbothioamide |
| Molecular Weight: | 278.41 |
| Molecular Formula: | C15 H22 N2 O S |
| Smiles: | CCOc1ccc(cc1)NC(N1CCCCCC1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.0909 |
| logD: | 4.0909 |
| logSw: | -3.9228 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 18.5913 |
| InChI Key: | PNGQGBJDIHGAAR-UHFFFAOYSA-N |