2-(1H-benzimidazol-2-yl)-3-(3-{3-methyl-4-[(prop-2-en-1-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-(3-{3-methyl-4-[(prop-2-en-1-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile
2-(1H-benzimidazol-2-yl)-3-(3-{3-methyl-4-[(prop-2-en-1-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | Y070-1204 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-(3-{3-methyl-4-[(prop-2-en-1-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C29 H23 N5 O |
| Smiles: | Cc1cc(ccc1OCC=C)c1c(\C=C(C#N)/c2nc3ccccc3[nH]2)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.4543 |
| logD: | 6.4528 |
| logSw: | -5.906 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.451 |
| InChI Key: | NDJMOCAKNOJPMT-UHFFFAOYSA-N |