2-{4-[(4-bromo-2-chlorophenoxy)methyl]phenyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-{4-[(4-bromo-2-chlorophenoxy)methyl]phenyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{4-[(4-bromo-2-chlorophenoxy)methyl]phenyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y503-1972 |
| Compound Name: | 2-{4-[(4-bromo-2-chlorophenoxy)methyl]phenyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 455.7 |
| Molecular Formula: | C19 H12 Br Cl N6 O |
| Smiles: | C(c1ccc(cc1)c1nc2c3cn[nH]c3ncn2n1)Oc1ccc(cc1[Cl])[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.4319 |
| logD: | 4.3463 |
| logSw: | -4.5446 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.061 |
| InChI Key: | IYIUTZBSDMMYMP-UHFFFAOYSA-N |