2-[4-(butan-2-yl)-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[4-(butan-2-yl)-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
2-[4-(butan-2-yl)-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
Compound characteristics
Compound ID: | J016-0732 |
Compound Name: | 2-[4-(butan-2-yl)-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide |
Molecular Weight: | 418.42 |
Molecular Formula: | C21 H21 F3 N4 O2 |
Smiles: | CCC(C)c1ccc(c(c1)n1cnnc1)OCC(Nc1ccc(cc1)C(F)(F)F)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.6703 |
logD: | 4.6702 |
logSw: | -4.4383 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.433 |
InChI Key: | KRWNIJQDUNVWSB-AWEZNQCLSA-N |