3-(4-oxo-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
Chemical Structure Depiction of
3-(4-oxo-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
3-(4-oxo-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
Compound characteristics
| Compound ID: | Y070-2089 |
| Compound Name: | 3-(4-oxo-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid |
| Molecular Weight: | 493.6 |
| Molecular Formula: | C25 H23 N3 O4 S2 |
| Smiles: | CCCOc1cccc(c1)c1c(/C=C2/C(N(CCC(O)=O)C(=S)S2)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.3823 |
| logD: | 1.8497 |
| logSw: | -4.1833 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.127 |
| InChI Key: | WYDVVOJDFHHFRM-UHFFFAOYSA-N |