2-(1,3-benzothiazol-2-yl)-3-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-3-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
2-(1,3-benzothiazol-2-yl)-3-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | Y070-1058 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-3-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile |
| Molecular Weight: | 438.94 |
| Molecular Formula: | C25 H15 Cl N4 S |
| Smiles: | C(=C(/C#N)c1nc2ccccc2s1)\c1cn(c2ccccc2)nc1c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.5606 |
| logD: | 6.5606 |
| logSw: | -6.789 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 41.376 |
| InChI Key: | JMZUNUMVRBOIPN-UHFFFAOYSA-N |