2-{4-[(3-methoxyphenyl)sulfanyl]-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}-N-(3-methylbutyl)acetamide
Chemical Structure Depiction of
2-{4-[(3-methoxyphenyl)sulfanyl]-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}-N-(3-methylbutyl)acetamide
2-{4-[(3-methoxyphenyl)sulfanyl]-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}-N-(3-methylbutyl)acetamide
Compound characteristics
| Compound ID: | F843-0651 |
| Compound Name: | 2-{4-[(3-methoxyphenyl)sulfanyl]-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}-N-(3-methylbutyl)acetamide |
| Molecular Weight: | 451.55 |
| Molecular Formula: | C23 H25 N5 O3 S |
| Smiles: | CC(C)CCNC(CN1C(N2C(C(=Nc3ccccc23)Sc2cccc(c2)OC)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5413 |
| logD: | 3.5413 |
| logSw: | -3.9256 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.265 |
| InChI Key: | VQMYLHOGILNYFJ-UHFFFAOYSA-N |