3-(5-{[1-(4-fluorophenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid
Chemical Structure Depiction of
3-(5-{[1-(4-fluorophenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid
3-(5-{[1-(4-fluorophenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid
Compound characteristics
| Compound ID: | C370-3235 |
| Compound Name: | 3-(5-{[1-(4-fluorophenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid |
| Molecular Weight: | 424.47 |
| Molecular Formula: | C21 H13 F N2 O3 S2 |
| Smiles: | C(=C1/C(N(C(=S)S1)c1cccc(c1)C(O)=O)=O)\c1cccn1c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 4.857 |
| logD: | 2.1674 |
| logSw: | -4.615 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.769 |
| InChI Key: | KBFDUDIYSTXRHM-UHFFFAOYSA-N |