7-methyl-2-{3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
7-methyl-2-{3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
7-methyl-2-{3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-4599 |
| Compound Name: | 7-methyl-2-{3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 415.41 |
| Molecular Formula: | C21 H17 N7 O3 |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)OCc1cccc(c1)c1nc2c3cnn(C)c3ncn2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.7679 |
| logD: | 3.7603 |
| logSw: | -4.0573 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 85.171 |
| InChI Key: | GPFXKCLTTKNMNX-UHFFFAOYSA-N |