2-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y509-5737 |
| Compound Name: | 2-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 427.38 |
| Molecular Formula: | C20 H13 N9 O3 |
| Smiles: | C(c1ccc(c2nc3c4cnn(c5ccccc5)c4ncn3n2)o1)n1cc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7056 |
| logD: | 2.6968 |
| logSw: | -2.8515 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 100.17 |
| InChI Key: | JRFGZQOLGBEKBN-UHFFFAOYSA-N |