2-(4-chlorobenzene-1-sulfonyl)-3-(1-phenyl-3-{4-[(prop-2-en-1-yl)oxy]phenyl}-1H-pyrazol-4-yl)prop-2-enenitrile
Chemical Structure Depiction of
2-(4-chlorobenzene-1-sulfonyl)-3-(1-phenyl-3-{4-[(prop-2-en-1-yl)oxy]phenyl}-1H-pyrazol-4-yl)prop-2-enenitrile
2-(4-chlorobenzene-1-sulfonyl)-3-(1-phenyl-3-{4-[(prop-2-en-1-yl)oxy]phenyl}-1H-pyrazol-4-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 4341-1667 |
| Compound Name: | 2-(4-chlorobenzene-1-sulfonyl)-3-(1-phenyl-3-{4-[(prop-2-en-1-yl)oxy]phenyl}-1H-pyrazol-4-yl)prop-2-enenitrile |
| Molecular Weight: | 501.99 |
| Molecular Formula: | C27 H20 Cl N3 O3 S |
| Smiles: | C=CCOc1ccc(cc1)c1c(\C=C(/C#N)S(c2ccc(cc2)[Cl])(=O)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.8881 |
| logD: | 5.8881 |
| logSw: | -6.3092 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.846 |
| InChI Key: | WKUQNSMPCFDIIY-UHFFFAOYSA-N |