4-{[5-({4-[(difluoromethyl)sulfanyl]phenyl}methyl)-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene]amino}benzoic acid
Chemical Structure Depiction of
4-{[5-({4-[(difluoromethyl)sulfanyl]phenyl}methyl)-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene]amino}benzoic acid
4-{[5-({4-[(difluoromethyl)sulfanyl]phenyl}methyl)-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene]amino}benzoic acid
Compound characteristics
| Compound ID: | 2479-1940 |
| Compound Name: | 4-{[5-({4-[(difluoromethyl)sulfanyl]phenyl}methyl)-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene]amino}benzoic acid |
| Molecular Weight: | 448.51 |
| Molecular Formula: | C21 H18 F2 N2 O3 S2 |
| Smiles: | C=CCN1\C(=N/c2ccc(cc2)C(O)=O)SC(Cc2ccc(cc2)SC(F)F)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1913 |
| logD: | 1.8012 |
| logSw: | -5.1988 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.522 |
| InChI Key: | HBKZEXDNNIEMKH-KRWDZBQOSA-N |