7-(3-bromophenyl)-2-[(2,6-dimethylphenoxy)methyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
7-(3-bromophenyl)-2-[(2,6-dimethylphenoxy)methyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
7-(3-bromophenyl)-2-[(2,6-dimethylphenoxy)methyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | D049-0220 |
| Compound Name: | 7-(3-bromophenyl)-2-[(2,6-dimethylphenoxy)methyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 449.31 |
| Molecular Formula: | C21 H17 Br N6 O |
| Smiles: | Cc1cccc(C)c1OCc1nc2c3cnn(c4cccc(c4)[Br])c3ncn2n1 |
| Stereo: | ACHIRAL |
| logP: | 5.0689 |
| logD: | 5.0675 |
| logSw: | -4.8446 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.104 |
| InChI Key: | ZJJCZELYFYNBSM-UHFFFAOYSA-N |