4-(5-{[3-(2,4-dimethylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
4-(5-{[3-(2,4-dimethylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid
4-(5-{[3-(2,4-dimethylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 2027-0342 |
| Compound Name: | 4-(5-{[3-(2,4-dimethylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 435.52 |
| Molecular Formula: | C23 H17 N O4 S2 |
| Smiles: | Cc1ccc(c(C)c1)N1C(/C(=C/c2ccc(c3ccc(cc3)C(O)=O)o2)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2506 |
| logD: | 2.5228 |
| logSw: | -5.2649 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.508 |
| InChI Key: | XXRJEEBUTHZRQI-UHFFFAOYSA-N |