1-[4-(methylsulfanyl)phenyl]-N-{[4-(propan-2-yl)phenyl]methyl}-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-[4-(methylsulfanyl)phenyl]-N-{[4-(propan-2-yl)phenyl]methyl}-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxamide
1-[4-(methylsulfanyl)phenyl]-N-{[4-(propan-2-yl)phenyl]methyl}-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | P016-4157 |
| Compound Name: | 1-[4-(methylsulfanyl)phenyl]-N-{[4-(propan-2-yl)phenyl]methyl}-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 443.57 |
| Molecular Formula: | C25 H25 N5 O S |
| Smiles: | CC(C)c1ccc(CNC(c2c(c3ccccn3)n(c3ccc(cc3)SC)nn2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0638 |
| logD: | 5.0638 |
| logSw: | -4.5811 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.3 |
| InChI Key: | QWCBAKSEPPMYJK-UHFFFAOYSA-N |