2-{5-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
2-{5-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid
2-{5-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 4490-1966 |
| Compound Name: | 2-{5-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid |
| Molecular Weight: | 345.39 |
| Molecular Formula: | C16 H11 N O4 S2 |
| Smiles: | CN1C(/C(=C\c2ccc(c3ccccc3C(O)=O)o2)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0501 |
| logD: | -1.0028 |
| logSw: | -3.3418 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.458 |
| InChI Key: | NALJHIBBHFGEQC-UHFFFAOYSA-N |