7-methyl-2-{3-[(2,4,6-trichlorophenoxy)methyl]phenyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
7-methyl-2-{3-[(2,4,6-trichlorophenoxy)methyl]phenyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
7-methyl-2-{3-[(2,4,6-trichlorophenoxy)methyl]phenyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-4569 |
| Compound Name: | 7-methyl-2-{3-[(2,4,6-trichlorophenoxy)methyl]phenyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 459.72 |
| Molecular Formula: | C20 H13 Cl3 N6 O |
| Smiles: | Cn1c2c(cn1)c1nc(c3cccc(COc4c(cc(cc4[Cl])[Cl])[Cl])c3)nn1cn2 |
| Stereo: | ACHIRAL |
| logP: | 5.1839 |
| logD: | 5.1764 |
| logSw: | -5.8128 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 52.264 |
| InChI Key: | BZKYKYRDWAJEIZ-UHFFFAOYSA-N |