ethyl 3-{[5-(thiophen-2-yl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[5-(thiophen-2-yl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate
ethyl 3-{[5-(thiophen-2-yl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate
Compound characteristics
Compound ID: | J093-0906 |
Compound Name: | ethyl 3-{[5-(thiophen-2-yl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate |
Molecular Weight: | 461.42 |
Molecular Formula: | C20 H14 F3 N5 O3 S |
Smiles: | CCOC(c1cccc(c1)NC(c1nc2nc(cc(C(F)(F)F)n2n1)c1cccs1)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.8391 |
logD: | 4.8391 |
logSw: | -4.6157 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 74.644 |
InChI Key: | MJSAXEQCGFWHSC-UHFFFAOYSA-N |