N-(5-chloro-2-methylphenyl)-2-(4-oxo-1-propyl[1,2,4]triazolo[4,3-a]quinoxalin-5(4H)-yl)acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-2-(4-oxo-1-propyl[1,2,4]triazolo[4,3-a]quinoxalin-5(4H)-yl)acetamide
N-(5-chloro-2-methylphenyl)-2-(4-oxo-1-propyl[1,2,4]triazolo[4,3-a]quinoxalin-5(4H)-yl)acetamide
Compound characteristics
| Compound ID: | F417-0453 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-2-(4-oxo-1-propyl[1,2,4]triazolo[4,3-a]quinoxalin-5(4H)-yl)acetamide |
| Molecular Weight: | 409.87 |
| Molecular Formula: | C21 H20 Cl N5 O2 |
| Smiles: | CCCc1nnc2C(N(CC(Nc3cc(ccc3C)[Cl])=O)c3ccccc3n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1018 |
| logD: | 3.1015 |
| logSw: | -3.392 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.799 |
| InChI Key: | OTLKGEKCNAVBMY-UHFFFAOYSA-N |