2-(1,3-benzothiazol-2-yl)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)prop-2-enenitrile
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)prop-2-enenitrile
2-(1,3-benzothiazol-2-yl)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 8010-4825 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)prop-2-enenitrile |
| Molecular Weight: | 342.8 |
| Molecular Formula: | C17 H11 Cl N2 O2 S |
| Smiles: | COc1cc(\C=C(/C#N)c2nc3ccccc3s2)cc(c1O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.8635 |
| logD: | 4.7905 |
| logSw: | -4.6497 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.853 |
| InChI Key: | OLTKAFJQMGBTST-UHFFFAOYSA-N |