N-benzyl-2-{4-[(3-methoxyphenyl)sulfanyl]-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{4-[(3-methoxyphenyl)sulfanyl]-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}acetamide
N-benzyl-2-{4-[(3-methoxyphenyl)sulfanyl]-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | F843-0625 |
| Compound Name: | N-benzyl-2-{4-[(3-methoxyphenyl)sulfanyl]-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}acetamide |
| Molecular Weight: | 471.54 |
| Molecular Formula: | C25 H21 N5 O3 S |
| Smiles: | COc1cccc(c1)SC1C2=NN(CC(NCc3ccccc3)=O)C(N2c2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6737 |
| logD: | 3.6737 |
| logSw: | -4.0883 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.152 |
| InChI Key: | YUOMVGLBEHIXAG-UHFFFAOYSA-N |