methyl (2-{[(4-butoxyphenyl)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-butoxyphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
methyl (2-{[(4-butoxyphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
Compound characteristics
| Compound ID: | D298-0365 |
| Compound Name: | methyl (2-{[(4-butoxyphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate |
| Molecular Weight: | 385.42 |
| Molecular Formula: | C19 H23 N5 O4 |
| Smiles: | CCCCOc1ccc(CNc2nc3NC(CC(=O)OC)=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3897 |
| logD: | 2.0115 |
| logSw: | -2.9581 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.977 |
| InChI Key: | FYEYKJLNGKMIKT-UHFFFAOYSA-N |