4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-5-amine
Chemical Structure Depiction of
4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-5-amine
4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-5-amine
Compound characteristics
Compound ID: | E595-0051 |
Compound Name: | 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-5-amine |
Molecular Weight: | 416.32 |
Molecular Formula: | C18 H11 F3 N6 O3 |
Smiles: | C1Oc2ccc(cc2O1)c1nc(c2c(N)n(c3cccc(c3)C(F)(F)F)nn2)on1 |
Stereo: | ACHIRAL |
logP: | 3.8329 |
logD: | 3.8329 |
logSw: | -4.3718 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 94.854 |
InChI Key: | QVNPGEPIUDNHKB-UHFFFAOYSA-N |