3-butyl-5-[(3-{3-methyl-4-[(prop-2-en-1-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
3-butyl-5-[(3-{3-methyl-4-[(prop-2-en-1-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
3-butyl-5-[(3-{3-methyl-4-[(prop-2-en-1-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | Y070-1343 |
| Compound Name: | 3-butyl-5-[(3-{3-methyl-4-[(prop-2-en-1-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 489.66 |
| Molecular Formula: | C27 H27 N3 O2 S2 |
| Smiles: | CCCCN1C(/C(=C/c2cn(c3ccccc3)nc2c2ccc(c(C)c2)OCC=C)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0501 |
| logD: | 7.0501 |
| logSw: | -5.7396 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 38.829 |
| InChI Key: | XQLAINHTGRVNGH-UHFFFAOYSA-N |