N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(2-methylphenoxy)-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(2-methylphenoxy)-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(2-methylphenoxy)-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
Compound characteristics
| Compound ID: | C200-6650 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(2-methylphenoxy)-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide |
| Molecular Weight: | 483.48 |
| Molecular Formula: | C26 H21 N5 O5 |
| Smiles: | Cc1ccccc1OC1C2=NN(CC(NCc3ccc4c(c3)OCO4)=O)C(N2c2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3955 |
| logD: | 3.3955 |
| logSw: | -3.9265 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.438 |
| InChI Key: | PAXBOXPOOBEGCV-UHFFFAOYSA-N |