benzyl 7-[4-(methoxycarbonyl)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
benzyl 7-[4-(methoxycarbonyl)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
benzyl 7-[4-(methoxycarbonyl)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C551-0261 |
| Compound Name: | benzyl 7-[4-(methoxycarbonyl)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 404.42 |
| Molecular Formula: | C22 H20 N4 O4 |
| Smiles: | CC1=C(C(c2ccc(cc2)C(=O)OC)n2c(N1)ncn2)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5943 |
| logD: | 3.4122 |
| logSw: | -3.6151 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.021 |
| InChI Key: | CXPLOBWQBIZHCI-IBGZPJMESA-N |