3-{3-[4-(ethylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-{3-[4-(ethylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
3-{3-[4-(ethylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | Y070-1965 |
| Compound Name: | 3-{3-[4-(ethylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile |
| Molecular Weight: | 461.59 |
| Molecular Formula: | C28 H23 N5 S |
| Smiles: | CCSc1ccc(cc1)c1c(/C=C(/C#N)c2nc3ccccc3n2C)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.2698 |
| logD: | 6.2698 |
| logSw: | -5.8234 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.666 |
| InChI Key: | WNQMGCGVKOSRJF-UHFFFAOYSA-N |