ethyl 4-[2-(2-ethoxyanilino)-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-ethoxyanilino)-2-oxoethyl]-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 4-[2-(2-ethoxyanilino)-2-oxoethyl]-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | D529-0042 |
| Compound Name: | ethyl 4-[2-(2-ethoxyanilino)-2-oxoethyl]-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 461.52 |
| Molecular Formula: | C25 H27 N5 O4 |
| Smiles: | CCOC(C1C(c2ccccc2)n2c(ncn2)N(CC(Nc2ccccc2OCC)=O)C=1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8922 |
| logD: | 3.8921 |
| logSw: | -3.8852 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.636 |
| InChI Key: | JKYKULWTBHOYKQ-QHCPKHFHSA-N |