2-(1H-benzimidazol-2-yl)-3-[3-(3-chloro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-[3-(3-chloro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
2-(1H-benzimidazol-2-yl)-3-[3-(3-chloro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | Y070-1769 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-[3-(3-chloro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile |
| Molecular Weight: | 479.97 |
| Molecular Formula: | C28 H22 Cl N5 O |
| Smiles: | CCCOc1ccc(cc1[Cl])c1c(\C=C(C#N)/c2nc3ccccc3[nH]2)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.4742 |
| logD: | 6.4727 |
| logSw: | -6.4082 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.451 |
| InChI Key: | ZSLBAAKFNCBEMA-UHFFFAOYSA-N |