dimethyl 5-[(8-benzoyl-1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[(8-benzoyl-1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]benzene-1,3-dicarboxylate
dimethyl 5-[(8-benzoyl-1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | E881-0171 |
| Compound Name: | dimethyl 5-[(8-benzoyl-1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]benzene-1,3-dicarboxylate |
| Molecular Weight: | 495.49 |
| Molecular Formula: | C27 H21 N5 O5 |
| Smiles: | Cc1nnc2c(Nc3cc(cc(c3)C(=O)OC)C(=O)OC)nc3ccc(cc3n12)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6722 |
| logD: | 4.6722 |
| logSw: | -4.5407 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.064 |
| InChI Key: | JWARAMBKNPXFGB-UHFFFAOYSA-N |