N-{[4-(methylsulfanyl)phenyl]methyl}-3-[4-(piperidin-1-yl)[1,2,4]triazolo[4,3-a]quinoxalin-1-yl]propanamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-3-[4-(piperidin-1-yl)[1,2,4]triazolo[4,3-a]quinoxalin-1-yl]propanamide
N-{[4-(methylsulfanyl)phenyl]methyl}-3-[4-(piperidin-1-yl)[1,2,4]triazolo[4,3-a]quinoxalin-1-yl]propanamide
Compound characteristics
| Compound ID: | L757-0068 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-3-[4-(piperidin-1-yl)[1,2,4]triazolo[4,3-a]quinoxalin-1-yl]propanamide |
| Molecular Weight: | 460.6 |
| Molecular Formula: | C25 H28 N6 O S |
| Smiles: | CSc1ccc(CNC(CCc2nnc3c(nc4ccccc4n23)N2CCCCC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0819 |
| logD: | 4.0766 |
| logSw: | -4.0352 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.482 |
| InChI Key: | ISVHPSJUURWVPH-UHFFFAOYSA-N |