3-[3-(azepane-1-sulfonyl)-4,5-dimethoxyphenyl]prop-2-enoic acid
Chemical Structure Depiction of
3-[3-(azepane-1-sulfonyl)-4,5-dimethoxyphenyl]prop-2-enoic acid
3-[3-(azepane-1-sulfonyl)-4,5-dimethoxyphenyl]prop-2-enoic acid
Compound characteristics
| Compound ID: | 3343-3293 |
| Compound Name: | 3-[3-(azepane-1-sulfonyl)-4,5-dimethoxyphenyl]prop-2-enoic acid |
| Molecular Weight: | 369.43 |
| Molecular Formula: | C17 H23 N O6 S |
| Smiles: | COc1cc(/C=C/C(O)=O)cc(c1OC)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6178 |
| logD: | -0.5728 |
| logSw: | -2.8072 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.012 |
| InChI Key: | ZWJPEMLXLNYGKJ-UHFFFAOYSA-N |