methyl [5-methyl-2-(4-methylphenyl)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
Chemical Structure Depiction of
methyl [5-methyl-2-(4-methylphenyl)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
methyl [5-methyl-2-(4-methylphenyl)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
Compound characteristics
| Compound ID: | D043-0310 |
| Compound Name: | methyl [5-methyl-2-(4-methylphenyl)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate |
| Molecular Weight: | 312.33 |
| Molecular Formula: | C16 H16 N4 O3 |
| Smiles: | CC1=C(CC(=O)OC)C(n2c(N1)nc(c1ccc(C)cc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3604 |
| logD: | 2.3481 |
| logSw: | -2.8375 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.83 |
| InChI Key: | XQOXJWFSAWMBHM-UHFFFAOYSA-N |