(5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Chemical Structure Depiction of
(5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
(5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Compound characteristics
| Compound ID: | Y070-0575 |
| Compound Name: | (5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid |
| Molecular Weight: | 439.49 |
| Molecular Formula: | C21 H14 F N3 O3 S2 |
| Smiles: | C(C(O)=O)N1C(/C(=C/c2cn(c3ccccc3)nc2c2ccc(cc2)F)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8712 |
| logD: | -0.2478 |
| logSw: | -3.2456 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.73 |
| InChI Key: | RTRQAXZPDOUDAH-UHFFFAOYSA-N |