3-[5-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoic acid
Chemical Structure Depiction of
3-[5-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoic acid
3-[5-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoic acid
Compound characteristics
| Compound ID: | C356-0070 |
| Compound Name: | 3-[5-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoic acid |
| Molecular Weight: | 444.44 |
| Molecular Formula: | C18 H12 N4 O6 S2 |
| Smiles: | CS(c1nnc(NC(C(=C/c2ccc(c3cccc(c3)C(O)=O)o2)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.95 |
| logD: | -0.56 |
| logSw: | -3.91 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 285.36 |
| InChI Key: | LQVOSNWWPYZXNJ-UHFFFAOYSA-N |