N-(2-bromo-4-methylphenyl)-2-(4-oxo-1-propyl[1,2,4]triazolo[4,3-a]quinoxalin-5(4H)-yl)acetamide
Chemical Structure Depiction of
N-(2-bromo-4-methylphenyl)-2-(4-oxo-1-propyl[1,2,4]triazolo[4,3-a]quinoxalin-5(4H)-yl)acetamide
N-(2-bromo-4-methylphenyl)-2-(4-oxo-1-propyl[1,2,4]triazolo[4,3-a]quinoxalin-5(4H)-yl)acetamide
Compound characteristics
| Compound ID: | F417-0487 |
| Compound Name: | N-(2-bromo-4-methylphenyl)-2-(4-oxo-1-propyl[1,2,4]triazolo[4,3-a]quinoxalin-5(4H)-yl)acetamide |
| Molecular Weight: | 454.32 |
| Molecular Formula: | C21 H20 Br N5 O2 |
| Smiles: | CCCc1nnc2C(N(CC(Nc3ccc(C)cc3[Br])=O)c3ccccc3n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4261 |
| logD: | 3.426 |
| logSw: | -3.6717 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.799 |
| InChI Key: | OJXNIGSYVPNZHI-UHFFFAOYSA-N |