1-(4-chlorophenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-(4-chlorophenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide
1-(4-chlorophenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L806-0091 |
| Compound Name: | 1-(4-chlorophenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 435.93 |
| Molecular Formula: | C22 H18 Cl N5 O S |
| Smiles: | CSc1ccc(CNC(c2c(c3cccnc3)n(c3ccc(cc3)[Cl])nn2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0069 |
| logD: | 4.0069 |
| logSw: | -4.4922 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.771 |
| InChI Key: | HOIHUIGUTBSCPU-UHFFFAOYSA-N |