3-butyl-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
3-butyl-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
3-butyl-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 4476-1452 |
| Compound Name: | 3-butyl-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 508.62 |
| Molecular Formula: | C25 H24 N4 O4 S2 |
| Smiles: | CCCCN1C(/C(=C/c2cn(c3ccccc3)nc2c2ccc(c(c2)[N+]([O-])=O)OCC)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7151 |
| logD: | 5.7151 |
| logSw: | -5.364 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 71.616 |
| InChI Key: | XIBMPRLLDDIKPO-UHFFFAOYSA-N |