7-(3-bromophenyl)-2-[(3,4-dimethoxyphenyl)methyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
7-(3-bromophenyl)-2-[(3,4-dimethoxyphenyl)methyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
7-(3-bromophenyl)-2-[(3,4-dimethoxyphenyl)methyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | D049-0216 |
| Compound Name: | 7-(3-bromophenyl)-2-[(3,4-dimethoxyphenyl)methyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 465.31 |
| Molecular Formula: | C21 H17 Br N6 O2 |
| Smiles: | COc1ccc(Cc2nc3c4cnn(c5cccc(c5)[Br])c4ncn3n2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.9428 |
| logD: | 3.9354 |
| logSw: | -4.052 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.693 |
| InChI Key: | JNRSJDXJYHELHN-UHFFFAOYSA-N |