1-(3-chloro-4-methylphenyl)-5-methyl-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-(3-chloro-4-methylphenyl)-5-methyl-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
1-(3-chloro-4-methylphenyl)-5-methyl-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E141-0689 |
| Compound Name: | 1-(3-chloro-4-methylphenyl)-5-methyl-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 372.87 |
| Molecular Formula: | C18 H17 Cl N4 O S |
| Smiles: | Cc1ccc(cc1[Cl])n1c(C)c(C(Nc2cccc(c2)SC)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 4.5813 |
| logD: | 4.5812 |
| logSw: | -4.6967 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.173 |
| InChI Key: | KUBHCXJNNVGJMD-UHFFFAOYSA-N |