N-benzyl-1-[4-(methylsulfanyl)phenyl]-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-[4-(methylsulfanyl)phenyl]-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-[4-(methylsulfanyl)phenyl]-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L806-6095 |
| Compound Name: | N-benzyl-1-[4-(methylsulfanyl)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(cc1)n1c(c2cccnc2)c(C(NCc2ccccc2)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 3.4121 |
| logD: | 3.4121 |
| logSw: | -3.503 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.771 |
| InChI Key: | GFSKLWZTWBFLDK-UHFFFAOYSA-N |