ethyl (2-{[(3-methylphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
Chemical Structure Depiction of
ethyl (2-{[(3-methylphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
ethyl (2-{[(3-methylphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
Compound characteristics
| Compound ID: | D298-0084 |
| Compound Name: | ethyl (2-{[(3-methylphenyl)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: | CCOC(CC1=CC(n2c(N1)nc(NCc1cccc(C)c1)n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0985 |
| logD: | 1.7203 |
| logSw: | -2.7442 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.14 |
| InChI Key: | GXXMCLNUFIIGAQ-UHFFFAOYSA-N |