N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | 8012-5605 |
Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
Molecular Weight: | 442.85 |
Molecular Formula: | C18 H14 Cl F3 N4 O2 S |
Smiles: | C=CCn1c(c2ccco2)nnc1SCC(Nc1cc(ccc1[Cl])C(F)(F)F)=O |
Stereo: | ACHIRAL |
logP: | 4.2156 |
logD: | 4.183 |
logSw: | -4.4851 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 55.249 |
InChI Key: | UNYNJUPYCVHHHQ-UHFFFAOYSA-N |