methyl [2-(4-chlorophenyl)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
Chemical Structure Depiction of
methyl [2-(4-chlorophenyl)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
methyl [2-(4-chlorophenyl)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
Compound characteristics
| Compound ID: | D043-0307 |
| Compound Name: | methyl [2-(4-chlorophenyl)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate |
| Molecular Weight: | 332.74 |
| Molecular Formula: | C15 H13 Cl N4 O3 |
| Smiles: | CC1=C(CC(=O)OC)C(n2c(N1)nc(c1ccc(cc1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5318 |
| logD: | 2.5194 |
| logSw: | -3.483 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.83 |
| InChI Key: | BYPKZGVJHQJDFP-UHFFFAOYSA-N |