2-(1,3-benzothiazol-2-yl)-3-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-3-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
2-(1,3-benzothiazol-2-yl)-3-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | Y070-1061 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-3-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile |
| Molecular Weight: | 418.52 |
| Molecular Formula: | C26 H18 N4 S |
| Smiles: | Cc1ccc(cc1)c1c(/C=C(/C#N)c2nc3ccccc3s2)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.3893 |
| logD: | 6.3893 |
| logSw: | -5.8926 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 41.376 |
| InChI Key: | JQPCJFMJWWTJDD-UHFFFAOYSA-N |