3-[5-(2-cyano-3-oxo-3-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)-2-furyl]benzoic acid
Chemical Structure Depiction of
3-[5-(2-cyano-3-oxo-3-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)-2-furyl]benzoic acid
3-[5-(2-cyano-3-oxo-3-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)-2-furyl]benzoic acid
Compound characteristics
| Compound ID: | 3948-0480 |
| Compound Name: | 3-[5-(2-cyano-3-oxo-3-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)-2-furyl]benzoic acid |
| Molecular Weight: | 434.35 |
| Molecular Formula: | C18 H9 F3 N4 O4 S |
| Smiles: | C(=C(/C#N)C(Nc1nnc(C(F)(F)F)s1)=O)\c1ccc(c2cccc(c2)C(O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.54 |
| logD: | -0.01 |
| logSw: | -5.07 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 212.39 |
| InChI Key: | XBKMXBZAGQMFMO-UHFFFAOYSA-N |