4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-furoate
Chemical Structure Depiction of
4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-furoate
4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-furoate
Compound characteristics
| Compound ID: | C146-0684 |
| Compound Name: | 4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-furoate |
| Molecular Weight: | 412.44 |
| Molecular Formula: | C18 H12 N4 O4 S2 |
| Smiles: | CSc1nc(NC(C(=C/c2ccc(cc2)OC(c2ccco2)=O)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 3.74 |
| logD: | 3.06 |
| logSw: | -4.71 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 218.72 |
| InChI Key: | NTLHBFCZOYHRMY-UHFFFAOYSA-N |