ethyl 4-[2-(2,4-difluoroanilino)-2-oxoethyl]-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 4-[2-(2,4-difluoroanilino)-2-oxoethyl]-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 4-[2-(2,4-difluoroanilino)-2-oxoethyl]-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
Compound ID: | D529-0081 |
Compound Name: | ethyl 4-[2-(2,4-difluoroanilino)-2-oxoethyl]-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
Molecular Weight: | 453.45 |
Molecular Formula: | C23 H21 F2 N5 O3 |
Smiles: | CCOC(C1C(c2ccccc2)n2c(ncn2)N(CC(Nc2ccc(cc2F)F)=O)C=1C)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.6335 |
logD: | 3.6198 |
logSw: | -3.7378 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 69.426 |
InChI Key: | BMHLUKAXNWTMNX-OAQYLSRUSA-N |