2-(1H-benzimidazol-2-yl)-3-[3-(4-butoxy-3-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-[3-(4-butoxy-3-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
2-(1H-benzimidazol-2-yl)-3-[3-(4-butoxy-3-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | Y070-1761 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-[3-(4-butoxy-3-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile |
| Molecular Weight: | 494 |
| Molecular Formula: | C29 H24 Cl N5 O |
| Smiles: | CCCCOc1ccc(cc1[Cl])c1c(\C=C(C#N)/c2nc3ccccc3[nH]2)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.9471 |
| logD: | 6.9456 |
| logSw: | -6.5574 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.451 |
| InChI Key: | PTTWCAJYBGOUKY-UHFFFAOYSA-N |