methyl [5-methyl-7-oxo-2-(phenoxymethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
Chemical Structure Depiction of
methyl [5-methyl-7-oxo-2-(phenoxymethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
methyl [5-methyl-7-oxo-2-(phenoxymethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
Compound characteristics
| Compound ID: | D043-0316 |
| Compound Name: | methyl [5-methyl-7-oxo-2-(phenoxymethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate |
| Molecular Weight: | 328.33 |
| Molecular Formula: | C16 H16 N4 O4 |
| Smiles: | CC1=C(CC(=O)OC)C(n2c(N1)nc(COc1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3892 |
| logD: | 0.0588 |
| logSw: | -1.8026 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.32 |
| InChI Key: | OTBWEKVQYAHHAY-UHFFFAOYSA-N |