N-{[4-(methylsulfanyl)phenyl]methyl}-1-phenyl-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-1-phenyl-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide
N-{[4-(methylsulfanyl)phenyl]methyl}-1-phenyl-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L806-3027 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-1-phenyl-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 401.49 |
| Molecular Formula: | C22 H19 N5 O S |
| Smiles: | CSc1ccc(CNC(c2c(c3cccnc3)n(c3ccccc3)nn2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2906 |
| logD: | 3.2906 |
| logSw: | -3.2999 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.771 |
| InChI Key: | RDVDGKVKNUCPAM-UHFFFAOYSA-N |