5-amino-N-(3-chloro-4-fluorophenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-(3-chloro-4-fluorophenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide
5-amino-N-(3-chloro-4-fluorophenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C549-0582 |
| Compound Name: | 5-amino-N-(3-chloro-4-fluorophenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 391.85 |
| Molecular Formula: | C17 H15 Cl F N5 O S |
| Smiles: | CSc1ccc(Cn2c(c(C(Nc3ccc(c(c3)[Cl])F)=O)nn2)N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5164 |
| logD: | 3.4962 |
| logSw: | -3.876 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.287 |
| InChI Key: | PZDCHMAHBLMYCN-UHFFFAOYSA-N |