2-{4-[(4-bromo-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-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{4-[(4-bromo-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: | Y502-3901 |
| Compound Name: | 2-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 471.32 |
| Molecular Formula: | C22 H15 Br N8 |
| Smiles: | C(c1ccc(cc1)c1nc2c3cnn(c4ccccc4)c3ncn2n1)n1cc(cn1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.116 |
| logD: | 4.0831 |
| logSw: | -4.3366 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 58.947 |
| InChI Key: | XTTLKVXRVQVZGV-UHFFFAOYSA-N |