2-{3-[(3-bromophenoxy)methyl]phenyl}-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-{3-[(3-bromophenoxy)methyl]phenyl}-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{3-[(3-bromophenoxy)methyl]phenyl}-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-4192 |
| Compound Name: | 2-{3-[(3-bromophenoxy)methyl]phenyl}-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 435.28 |
| Molecular Formula: | C20 H15 Br N6 O |
| Smiles: | Cn1c2c(cn1)c1nc(c3cccc(COc4cccc(c4)[Br])c3)nn1cn2 |
| Stereo: | ACHIRAL |
| logP: | 4.0654 |
| logD: | 4.0578 |
| logSw: | -4.1741 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 52.09 |
| InChI Key: | KDXCGFCYEDWUIH-UHFFFAOYSA-N |