2-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y503-1518 |
| Compound Name: | 2-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 440.22 |
| Molecular Formula: | C16 H10 Br N9 O2 |
| Smiles: | C(c1cccc(c1)c1nc2c3cn[nH]c3ncn2n1)n1cc(c(n1)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.0995 |
| logD: | 2.0034 |
| logSw: | -2.5027 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.343 |
| InChI Key: | GBSBNEZKHVOEDJ-UHFFFAOYSA-N |