N-(3-acetylphenyl)-2-{4-[(3-methoxyphenyl)sulfanyl]-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-2-{4-[(3-methoxyphenyl)sulfanyl]-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}acetamide
N-(3-acetylphenyl)-2-{4-[(3-methoxyphenyl)sulfanyl]-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | F843-0581 |
| Compound Name: | N-(3-acetylphenyl)-2-{4-[(3-methoxyphenyl)sulfanyl]-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}acetamide |
| Molecular Weight: | 499.55 |
| Molecular Formula: | C26 H21 N5 O4 S |
| Smiles: | CC(c1cccc(c1)NC(CN1C(N2C(C(=Nc3ccccc23)Sc2cccc(c2)OC)=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8369 |
| logD: | 3.8368 |
| logSw: | -4.1245 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.657 |
| InChI Key: | PFSSBUYMOGEMQO-UHFFFAOYSA-N |