2-cyano-3-{5-[(4-methylphenyl)sulfanyl]-2-furyl}-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{5-[(4-methylphenyl)sulfanyl]-2-furyl}-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{5-[(4-methylphenyl)sulfanyl]-2-furyl}-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
Compound ID: | 3948-0489 |
Compound Name: | 2-cyano-3-{5-[(4-methylphenyl)sulfanyl]-2-furyl}-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
Molecular Weight: | 436.43 |
Molecular Formula: | C18 H11 F3 N4 O2 S2 |
Smiles: | Cc1ccc(cc1)Sc1ccc(/C=C(/C#N)C(Nc2nnc(C(F)(F)F)s2)=O)o1 |
Stereo: | ACHIRAL |
logP: | 5.77 |
logD: | 1.21 |
logSw: | -6.55 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 181.71 |
InChI Key: | LGULVFZLGNISEA-UHFFFAOYSA-N |