7-methyl-2-{3-[(4-nitrophenoxy)methyl]phenyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
7-methyl-2-{3-[(4-nitrophenoxy)methyl]phenyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
7-methyl-2-{3-[(4-nitrophenoxy)methyl]phenyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-5397 |
| Compound Name: | 7-methyl-2-{3-[(4-nitrophenoxy)methyl]phenyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 401.38 |
| Molecular Formula: | C20 H15 N7 O3 |
| Smiles: | Cn1c2c(cn1)c1nc(c3cccc(COc4ccc(cc4)[N+]([O-])=O)c3)nn1cn2 |
| Stereo: | ACHIRAL |
| logP: | 3.2248 |
| logD: | 3.2172 |
| logSw: | -3.3595 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 85.472 |
| InChI Key: | WAWFXZKMJKENDT-UHFFFAOYSA-N |