N-(4-bromo-3-methylphenyl)-2-[4-(2-methylphenoxy)-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-2-[4-(2-methylphenoxy)-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
N-(4-bromo-3-methylphenyl)-2-[4-(2-methylphenoxy)-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
Compound characteristics
| Compound ID: | C200-6286 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-2-[4-(2-methylphenoxy)-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide |
| Molecular Weight: | 518.37 |
| Molecular Formula: | C25 H20 Br N5 O3 |
| Smiles: | Cc1ccccc1OC1C2=NN(CC(Nc3ccc(c(C)c3)[Br])=O)C(N2c2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0793 |
| logD: | 5.0792 |
| logSw: | -4.9227 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.001 |
| InChI Key: | NOEAURXFHXBZPI-UHFFFAOYSA-N |