ethyl 3-(5-methyl-2-{[(2-methylphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
Chemical Structure Depiction of
ethyl 3-(5-methyl-2-{[(2-methylphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
ethyl 3-(5-methyl-2-{[(2-methylphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
Compound characteristics
| Compound ID: | D298-0172 |
| Compound Name: | ethyl 3-(5-methyl-2-{[(2-methylphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate |
| Molecular Weight: | 369.42 |
| Molecular Formula: | C19 H23 N5 O3 |
| Smiles: | CCOC(CCC1=C(C)Nc2nc(NCc3ccccc3C)nn2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1308 |
| logD: | 3.0876 |
| logSw: | -3.0492 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.051 |
| InChI Key: | SAUBXHZEKZXAOJ-UHFFFAOYSA-N |