2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 8008-3696 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile |
| Molecular Weight: | 322.38 |
| Molecular Formula: | C18 H14 N2 O2 S |
| Smiles: | COc1ccc(\C=C(/C#N)c2nc3ccccc3s2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.1459 |
| logD: | 4.1459 |
| logSw: | -4.4882 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.004 |
| InChI Key: | NXZFFFBXXILHEW-UHFFFAOYSA-N |