3-(5-{[1-(2,6-dimethylphenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid
Chemical Structure Depiction of
3-(5-{[1-(2,6-dimethylphenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid
3-(5-{[1-(2,6-dimethylphenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid
Compound characteristics
| Compound ID: | C370-3231 |
| Compound Name: | 3-(5-{[1-(2,6-dimethylphenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid |
| Molecular Weight: | 434.53 |
| Molecular Formula: | C23 H18 N2 O3 S2 |
| Smiles: | Cc1cccc(C)c1n1cccc1/C=C1/C(N(C(=S)S1)c1cccc(c1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5119 |
| logD: | 2.8224 |
| logSw: | -5.3306 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.167 |
| InChI Key: | GYERWAQYRZSXRC-UHFFFAOYSA-N |