ethyl 4-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 4-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 4-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
Compound ID: | D529-0131 |
Compound Name: | ethyl 4-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
Molecular Weight: | 491.55 |
Molecular Formula: | C26 H29 N5 O5 |
Smiles: | CCOC(C1C(c2ccc(C)cc2)n2c(ncn2)N(CC(Nc2ccc(cc2OC)OC)=O)C=1C)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.8819 |
logD: | 3.8817 |
logSw: | -3.9336 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 84.6 |
InChI Key: | HVWUOZPCEWYVQN-DEOSSOPVSA-N |