6-(3-bromo-4-methoxyphenyl)-2-chloro-7-(4-methylphenyl)-7,12-dihydro-6H-[1]benzopyrano[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
6-(3-bromo-4-methoxyphenyl)-2-chloro-7-(4-methylphenyl)-7,12-dihydro-6H-[1]benzopyrano[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
6-(3-bromo-4-methoxyphenyl)-2-chloro-7-(4-methylphenyl)-7,12-dihydro-6H-[1]benzopyrano[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-3711 |
| Compound Name: | 6-(3-bromo-4-methoxyphenyl)-2-chloro-7-(4-methylphenyl)-7,12-dihydro-6H-[1]benzopyrano[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 535.83 |
| Molecular Formula: | C26 H20 Br Cl N4 O2 |
| Smiles: | Cc1ccc(cc1)C1C2C(c3ccc(c(c3)[Br])OC)Oc3ccc(cc3C=2Nc2ncnn12)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.3834 |
| logD: | 6.3825 |
| logSw: | -6.5263 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.238 |
| InChI Key: | JXZOXUKSCOBHBY-UHFFFAOYSA-N |