4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)benzoic acid
Chemical Structure Depiction of
4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)benzoic acid
4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)benzoic acid
Compound characteristics
| Compound ID: | C146-0537 |
| Compound Name: | 4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)benzoic acid |
| Molecular Weight: | 346.38 |
| Molecular Formula: | C14 H10 N4 O3 S2 |
| Smiles: | CSc1nc(NC(C(=C/c2ccc(cc2)C(O)=O)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 3.36 |
| logD: | -0.24 |
| logSw: | -4.18 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 244.39 |
| InChI Key: | FFNZJYZOTRQPTM-UHFFFAOYSA-N |