methyl (2-{[(4-methoxyphenyl)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-methoxyphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
methyl (2-{[(4-methoxyphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
Compound characteristics
| Compound ID: | D298-0021 |
| Compound Name: | methyl (2-{[(4-methoxyphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate |
| Molecular Weight: | 343.34 |
| Molecular Formula: | C16 H17 N5 O4 |
| Smiles: | COC(CC1=CC(n2c(N1)nc(NCc1ccc(cc1)OC)n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9397 |
| logD: | 0.5616 |
| logSw: | -1.8869 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.104 |
| InChI Key: | UHGMOQUNPOCCML-UHFFFAOYSA-N |