ethyl 5-methyl-4-{2-[(2-methylpropyl)amino]-2-oxoethyl}-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-methyl-4-{2-[(2-methylpropyl)amino]-2-oxoethyl}-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 5-methyl-4-{2-[(2-methylpropyl)amino]-2-oxoethyl}-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | D529-0087 |
| Compound Name: | ethyl 5-methyl-4-{2-[(2-methylpropyl)amino]-2-oxoethyl}-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 397.48 |
| Molecular Formula: | C21 H27 N5 O3 |
| Smiles: | CCOC(C1C(c2ccccc2)n2c(ncn2)N(CC(NCC(C)C)=O)C=1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7855 |
| logD: | 2.7855 |
| logSw: | -2.9515 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.717 |
| InChI Key: | YNKIMCYRNNHENV-IBGZPJMESA-N |