methyl [5-methyl-2-(3-methylphenyl)-7-oxo[1,2,4]triazolo[1,5-a]pyrimidin-4(7H)-yl]acetate
Chemical Structure Depiction of
methyl [5-methyl-2-(3-methylphenyl)-7-oxo[1,2,4]triazolo[1,5-a]pyrimidin-4(7H)-yl]acetate
methyl [5-methyl-2-(3-methylphenyl)-7-oxo[1,2,4]triazolo[1,5-a]pyrimidin-4(7H)-yl]acetate
Compound characteristics
| Compound ID: | D475-1520 |
| Compound Name: | methyl [5-methyl-2-(3-methylphenyl)-7-oxo[1,2,4]triazolo[1,5-a]pyrimidin-4(7H)-yl]acetate |
| Molecular Weight: | 312.33 |
| Molecular Formula: | C16 H16 N4 O3 |
| Smiles: | CC1=CC(n2c(nc(c3cccc(C)c3)n2)N1CC(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2201 |
| logD: | 2.2201 |
| logSw: | -2.5721 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.196 |
| InChI Key: | VLSMZNHNDKIXNQ-UHFFFAOYSA-N |