methyl 2-{[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate
methyl 2-{[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate
Compound characteristics
Compound ID: | K061-0738 |
Compound Name: | methyl 2-{[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate |
Molecular Weight: | 519.28 |
Molecular Formula: | C22 H14 Br F3 N4 O3 |
Smiles: | COC(c1ccccc1NC(c1cc2nc(cc(C(F)(F)F)n2n1)c1ccc(cc1)[Br])=O)=O |
Stereo: | ACHIRAL |
logP: | 5.7658 |
logD: | 5.7135 |
logSw: | -5.5447 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.965 |
InChI Key: | HGIFFCGSENOGHP-UHFFFAOYSA-N |