2-(1,3-benzothiazol-2-yl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enenitrile
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enenitrile
2-(1,3-benzothiazol-2-yl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 1804-0059 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enenitrile |
| Molecular Weight: | 322.38 |
| Molecular Formula: | C18 H14 N2 O2 S |
| Smiles: | CCOc1cc(\C=C(/C#N)c2nc3ccccc3s2)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 4.2479 |
| logD: | 4.2453 |
| logSw: | -3.9496 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.502 |
| InChI Key: | HVDVTFYEAOQAST-UHFFFAOYSA-N |