2-(1,3-benzothiazol-2-yl)-3-{1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}prop-2-enenitrile
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-3-{1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}prop-2-enenitrile
2-(1,3-benzothiazol-2-yl)-3-{1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}prop-2-enenitrile
Compound characteristics
| Compound ID: | Y070-1749 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-3-{1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}prop-2-enenitrile |
| Molecular Weight: | 478.64 |
| Molecular Formula: | C28 H22 N4 S2 |
| Smiles: | CCCSc1ccc(cc1)c1c(/C=C(/C#N)c2nc3ccccc3s2)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 7.2904 |
| logD: | 7.2904 |
| logSw: | -5.9779 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.376 |
| InChI Key: | RPZIOBJAQFPBMC-UHFFFAOYSA-N |