5-amino-N-(3,5-dimethylphenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-(3,5-dimethylphenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide
5-amino-N-(3,5-dimethylphenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C549-0594 |
| Compound Name: | 5-amino-N-(3,5-dimethylphenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 367.47 |
| Molecular Formula: | C19 H21 N5 O S |
| Smiles: | Cc1cc(C)cc(c1)NC(c1c(N)n(Cc2ccc(cc2)SC)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4792 |
| logD: | 3.4792 |
| logSw: | -3.8329 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.287 |
| InChI Key: | YEVPDAVXSUDWQB-UHFFFAOYSA-N |