2-(1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)-3-hydroxyprop-2-enenitrile
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)-3-hydroxyprop-2-enenitrile
2-(1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)-3-hydroxyprop-2-enenitrile
Compound characteristics
| Compound ID: | 2187-1238 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)-3-hydroxyprop-2-enenitrile |
| Molecular Weight: | 296.32 |
| Molecular Formula: | C16 H9 F N2 O S |
| Smiles: | C(\C(=C(/c1ccc(cc1)F)O)c1nc2ccccc2s1)#N |
| Stereo: | ACHIRAL |
| logP: | 3.845 |
| logD: | 2.6226 |
| logSw: | -4.1971 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.294 |
| InChI Key: | YHWNGRNKSPDOCW-UHFFFAOYSA-N |