N-(2H-1,3-benzodioxol-5-yl)-5-(thiophen-2-yl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-(thiophen-2-yl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-(thiophen-2-yl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
Compound ID: | J093-0872 |
Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-(thiophen-2-yl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide |
Molecular Weight: | 433.37 |
Molecular Formula: | C18 H10 F3 N5 O3 S |
Smiles: | C1Oc2ccc(cc2O1)NC(c1nc2nc(cc(C(F)(F)F)n2n1)c1cccs1)=O |
Stereo: | ACHIRAL |
logP: | 3.8902 |
logD: | 3.89 |
logSw: | -4.1785 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 71.006 |
InChI Key: | IRAZNCGOVUERQR-UHFFFAOYSA-N |