methyl 2-{[5-(4-fluorophenyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[5-(4-fluorophenyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate
methyl 2-{[5-(4-fluorophenyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate
Compound characteristics
Compound ID: | J093-0044 |
Compound Name: | methyl 2-{[5-(4-fluorophenyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate |
Molecular Weight: | 459.36 |
Molecular Formula: | C21 H13 F4 N5 O3 |
Smiles: | COC(c1ccccc1NC(c1nc2nc(cc(C(F)(F)F)n2n1)c1ccc(cc1)F)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.3649 |
logD: | 4.2808 |
logSw: | -4.4085 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 73.348 |
InChI Key: | YKTHWWALXSPEDN-UHFFFAOYSA-N |