(5-{[3-(4-ethoxy-3-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-ethoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
(5-{[3-(4-ethoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Compound characteristics
| Compound ID: | 6000-0033 |
| Compound Name: | (5-{[3-(4-ethoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid |
| Molecular Weight: | 483.54 |
| Molecular Formula: | C23 H18 F N3 O4 S2 |
| Smiles: | CCOc1ccc(cc1F)c1c(/C=C2/C(N(CC(O)=O)C(=S)S2)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.413 |
| logD: | 0.294 |
| logSw: | -3.7008 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.941 |
| InChI Key: | XLTVGWJFFRORGR-UHFFFAOYSA-N |