2-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-4426 |
| Compound Name: | 2-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 409.25 |
| Molecular Formula: | C17 H13 Br N8 |
| Smiles: | Cn1c2c(cn1)c1nc(c3ccc(Cn4cc(cn4)[Br])cc3)nn1cn2 |
| Stereo: | ACHIRAL |
| logP: | 2.2696 |
| logD: | 2.2239 |
| logSw: | -2.2974 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 59.368 |
| InChI Key: | ATDBDDODWBOPIN-UHFFFAOYSA-N |