N-butyl-2-{4-[(3-methoxyphenyl)sulfanyl]-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-butyl-2-{4-[(3-methoxyphenyl)sulfanyl]-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}acetamide
N-butyl-2-{4-[(3-methoxyphenyl)sulfanyl]-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | F843-0641 |
| Compound Name: | N-butyl-2-{4-[(3-methoxyphenyl)sulfanyl]-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}acetamide |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C22 H23 N5 O3 S |
| Smiles: | CCCCNC(CN1C(N2C(C(=Nc3ccccc23)Sc2cccc(c2)OC)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3274 |
| logD: | 3.3274 |
| logSw: | -3.7299 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.265 |
| InChI Key: | UJBSEBIHUKKYMP-UHFFFAOYSA-N |