methyl [2-(4-chlorophenyl)-5-methyl-7-oxo[1,2,4]triazolo[1,5-a]pyrimidin-4(7H)-yl]acetate
Chemical Structure Depiction of
methyl [2-(4-chlorophenyl)-5-methyl-7-oxo[1,2,4]triazolo[1,5-a]pyrimidin-4(7H)-yl]acetate
methyl [2-(4-chlorophenyl)-5-methyl-7-oxo[1,2,4]triazolo[1,5-a]pyrimidin-4(7H)-yl]acetate
Compound characteristics
| Compound ID: | D475-1337 |
| Compound Name: | methyl [2-(4-chlorophenyl)-5-methyl-7-oxo[1,2,4]triazolo[1,5-a]pyrimidin-4(7H)-yl]acetate |
| Molecular Weight: | 332.74 |
| Molecular Formula: | C15 H13 Cl N4 O3 |
| Smiles: | CC1=CC(n2c(nc(c3ccc(cc3)[Cl])n2)N1CC(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4456 |
| logD: | 2.4456 |
| logSw: | -3.1086 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.196 |
| InChI Key: | STMDIUVCTJHZHS-UHFFFAOYSA-N |