methyl (2-{[(4-ethylphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
Chemical Structure Depiction of
methyl (2-{[(4-ethylphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
methyl (2-{[(4-ethylphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
Compound characteristics
| Compound ID: | D298-0011 |
| Compound Name: | methyl (2-{[(4-ethylphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate |
| Molecular Weight: | 341.37 |
| Molecular Formula: | C17 H19 N5 O3 |
| Smiles: | CCc1ccc(CNc2nc3NC(CC(=O)OC)=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.888 |
| logD: | 1.5099 |
| logSw: | -2.4954 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.56 |
| InChI Key: | ISLLPGZPLYKOKO-UHFFFAOYSA-N |