4-{5-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
4-{5-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid
4-{5-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 8008-3698 |
| Compound Name: | 4-{5-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid |
| Molecular Weight: | 359.42 |
| Molecular Formula: | C17 H13 N O4 S2 |
| Smiles: | CCN1C(/C(=C\c2ccc(c3ccc(cc3)C(O)=O)o2)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2684 |
| logD: | 0.5406 |
| logSw: | -4.1344 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.417 |
| InChI Key: | JCOCDHYTHMMUHD-UHFFFAOYSA-N |