2-(1H-benzimidazol-2-yl)-3-{3-[4-(ethylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-{3-[4-(ethylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile
2-(1H-benzimidazol-2-yl)-3-{3-[4-(ethylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile
Compound characteristics
| Compound ID: | Y070-2130 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-{3-[4-(ethylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C27 H21 N5 S |
| Smiles: | CCSc1ccc(cc1)c1c(\C=C(C#N)/c2nc3ccccc3[nH]2)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.0841 |
| logD: | 6.0826 |
| logSw: | -5.7943 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.947 |
| InChI Key: | OYZQACRBKAXTBY-UHFFFAOYSA-N |