methyl 4-{3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrazin-2-yl}benzoate
Chemical Structure Depiction of
methyl 4-{3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrazin-2-yl}benzoate
methyl 4-{3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrazin-2-yl}benzoate
Compound characteristics
Compound ID: | D401-0498 |
Compound Name: | methyl 4-{3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrazin-2-yl}benzoate |
Molecular Weight: | 412.37 |
Molecular Formula: | C21 H15 F3 N4 O2 |
Smiles: | COC(c1ccc(cc1)c1c(Nc2cccc(c2)C(F)(F)F)n2ccncc2n1)=O |
Stereo: | ACHIRAL |
logP: | 4.7586 |
logD: | 4.7583 |
logSw: | -4.4515 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 48.371 |
InChI Key: | RGEPWQJSFMNMLI-UHFFFAOYSA-N |