3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile
Chemical Structure Depiction of
3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile
3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | Y070-0811 |
| Compound Name: | 3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C25 H18 F N3 O2 S |
| Smiles: | Cc1ccc(cc1)S(C(=C\c1cn(c2ccccc2)nc1c1ccc(cc1)F)\C#N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2127 |
| logD: | 5.2127 |
| logSw: | -5.1816 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.428 |
| InChI Key: | IXJCGTSSZWYYQC-UHFFFAOYSA-N |