3-{5-[(4-chlorophenyl)sulfanyl]-2-furyl}-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-{5-[(4-chlorophenyl)sulfanyl]-2-furyl}-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{5-[(4-chlorophenyl)sulfanyl]-2-furyl}-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 3948-0570 |
| Compound Name: | 3-{5-[(4-chlorophenyl)sulfanyl]-2-furyl}-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 456.85 |
| Molecular Formula: | C17 H8 Cl F3 N4 O2 S2 |
| Smiles: | C(=C(/C#N)C(Nc1nnc(C(F)(F)F)s1)=O)\c1ccc(o1)Sc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.94 |
| logD: | 1.38 |
| logSw: | -6.93 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 180.77 |
| InChI Key: | MOBLHFUDNCJINU-UHFFFAOYSA-N |