2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)ethyl]-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)ethyl]-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)ethyl]-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-9467 |
| Compound Name: | 2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)ethyl]-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 405.37 |
| Molecular Formula: | C18 H15 N9 O3 |
| Smiles: | COc1c(cn(CCc2nc3c4cnn(c5ccccc5)c4ncn3n2)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1184 |
| logD: | 2.0961 |
| logSw: | -2.173 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 101.346 |
| InChI Key: | GEQYOXDUUMLZEY-UHFFFAOYSA-N |