2-chloro-4-(5-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
2-chloro-4-(5-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid
2-chloro-4-(5-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 4299-0717 |
| Compound Name: | 2-chloro-4-(5-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 405.88 |
| Molecular Formula: | C18 H12 Cl N O4 S2 |
| Smiles: | C=CCN1C(/C(=C/c2ccc(c3ccc(C(O)=O)c(c3)[Cl])o2)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6843 |
| logD: | 0.0388 |
| logSw: | -4.5985 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.67 |
| InChI Key: | HKDQWCANOYDCNR-UHFFFAOYSA-N |