2-(4-chlorobenzene-1-sulfonyl)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Chemical Structure Depiction of
2-(4-chlorobenzene-1-sulfonyl)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
2-(4-chlorobenzene-1-sulfonyl)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 4341-1602 |
| Compound Name: | 2-(4-chlorobenzene-1-sulfonyl)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile |
| Molecular Weight: | 504.01 |
| Molecular Formula: | C27 H22 Cl N3 O3 S |
| Smiles: | CCOc1ccc(cc1C)c1c(\C=C(/C#N)S(c2ccc(cc2)[Cl])(=O)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.2999 |
| logD: | 6.2999 |
| logSw: | -6.254 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.638 |
| InChI Key: | ALRUBJLFWUFSBA-UHFFFAOYSA-N |