3-(5-{[1-(4-methylphenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid
Chemical Structure Depiction of
3-(5-{[1-(4-methylphenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid
3-(5-{[1-(4-methylphenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid
Compound characteristics
| Compound ID: | C370-3227 |
| Compound Name: | 3-(5-{[1-(4-methylphenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C22 H16 N2 O3 S2 |
| Smiles: | Cc1ccc(cc1)n1cccc1/C=C1/C(N(C(=S)S1)c1cccc(c1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2513 |
| logD: | 2.5617 |
| logSw: | -4.9289 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.769 |
| InChI Key: | VCTDAXJPWICSCY-UHFFFAOYSA-N |