N-{[4-(methylsulfanyl)phenyl]methyl}[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
N-{[4-(methylsulfanyl)phenyl]methyl}[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
Compound characteristics
| Compound ID: | C735-0052 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}[1,2,4]triazolo[4,3-a]quinoxalin-4-amine |
| Molecular Weight: | 321.4 |
| Molecular Formula: | C17 H15 N5 S |
| Smiles: | CSc1ccc(CNc2c3nncn3c3ccccc3n2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.03 |
| logD: | 3.0187 |
| logSw: | -2.9641 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.4 |
| InChI Key: | ZRTKIXJMLYJDNW-UHFFFAOYSA-N |