4-[4-({3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide
Chemical Structure Depiction of
4-[4-({3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide
4-[4-({3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 4588-0229 |
| Compound Name: | 4-[4-({3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide |
| Molecular Weight: | 425.46 |
| Molecular Formula: | C21 H19 N3 O5 S |
| Smiles: | CC1/C(=C\c2ccc(c(c2)OC)OCC#C)C(N(c2ccc(cc2)S(N)(=O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7524 |
| logD: | 1.7514 |
| logSw: | -2.548 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.325 |
| InChI Key: | SQTYMEXLHWQARM-UHFFFAOYSA-N |