4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 2-furoate
Chemical Structure Depiction of
4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 2-furoate
4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 2-furoate
Compound characteristics
| Compound ID: | C356-0317 |
| Compound Name: | 4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 2-furoate |
| Molecular Weight: | 444.44 |
| Molecular Formula: | C18 H12 N4 O6 S2 |
| Smiles: | CS(c1nnc(NC(C(=C/c2ccc(cc2)OC(c2ccco2)=O)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.19 |
| logD: | -0.16 |
| logSw: | -3.93 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 258.86 |
| InChI Key: | UQRKEOYFYYTZEH-UHFFFAOYSA-N |