2-(1,3-benzothiazol-2-yl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enenitrile
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enenitrile
2-(1,3-benzothiazol-2-yl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | Y508-0428 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enenitrile |
| Molecular Weight: | 308.36 |
| Molecular Formula: | C17 H12 N2 O2 S |
| Smiles: | COc1cc(\C=C(/C#N)c2nc3ccccc3s2)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 3.7291 |
| logD: | 3.7242 |
| logSw: | -3.7327 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.922 |
| InChI Key: | JCELEMZBUWHYOM-UHFFFAOYSA-N |