2-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7-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}-7-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}-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-4093 |
| Compound Name: | 2-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 516.31 |
| Molecular Formula: | C22 H14 Br N9 O2 |
| Smiles: | C(c1cccc(c1)c1nc2c3cnn(c4ccccc4)c3ncn2n1)n1cc(c(n1)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.9173 |
| logD: | 3.8825 |
| logSw: | -4.0995 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 92.038 |
| InChI Key: | YOKOHGJVFKFJBL-UHFFFAOYSA-N |