methyl N-[3-(5-methyl-2-{[(4-methylphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]glycinate
Chemical Structure Depiction of
methyl N-[3-(5-methyl-2-{[(4-methylphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]glycinate
methyl N-[3-(5-methyl-2-{[(4-methylphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]glycinate
Compound characteristics
| Compound ID: | D481-0148 |
| Compound Name: | methyl N-[3-(5-methyl-2-{[(4-methylphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]glycinate |
| Molecular Weight: | 412.45 |
| Molecular Formula: | C20 H24 N6 O4 |
| Smiles: | CC1=C(CCC(NCC(=O)OC)=O)C(n2c(N1)nc(NCc1ccc(C)cc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1748 |
| logD: | 1.1316 |
| logSw: | -1.9351 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.942 |
| InChI Key: | YCHPQKCXSSZGHH-UHFFFAOYSA-N |