ethyl 5-methyl-4-[2-(4-methylanilino)-2-oxoethyl]-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-methyl-4-[2-(4-methylanilino)-2-oxoethyl]-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 5-methyl-4-[2-(4-methylanilino)-2-oxoethyl]-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | D529-0139 |
| Compound Name: | ethyl 5-methyl-4-[2-(4-methylanilino)-2-oxoethyl]-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C25 H27 N5 O3 |
| Smiles: | CCOC(C1C(c2ccc(C)cc2)n2c(ncn2)N(CC(Nc2ccc(C)cc2)=O)C=1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5601 |
| logD: | 4.56 |
| logSw: | -4.1882 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.124 |
| InChI Key: | TUFDTNIYNAIZPZ-QHCPKHFHSA-N |