4-[4-({3-ethoxy-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-ethoxy-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-ethoxy-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: | 4588-0026 |
| Compound Name: | 4-[4-({3-ethoxy-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: | 439.49 |
| Molecular Formula: | C22 H21 N3 O5 S |
| Smiles: | CCOc1cc(\C=C2/C(C)=NN(C2=O)c2ccc(cc2)S(N)(=O)=O)ccc1OCC#C |
| Stereo: | ACHIRAL |
| logP: | 1.8981 |
| logD: | 1.897 |
| logSw: | -2.7297 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.905 |
| InChI Key: | KDEYKUUSILCXKS-UHFFFAOYSA-N |