5-amino-N-[(2,4-dichlorophenyl)methyl]-1-{[4-(methylsulfanyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-[(2,4-dichlorophenyl)methyl]-1-{[4-(methylsulfanyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide
5-amino-N-[(2,4-dichlorophenyl)methyl]-1-{[4-(methylsulfanyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C200-2292 |
| Compound Name: | 5-amino-N-[(2,4-dichlorophenyl)methyl]-1-{[4-(methylsulfanyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 422.33 |
| Molecular Formula: | C18 H17 Cl2 N5 O S |
| Smiles: | CSc1ccc(Cn2c(c(C(NCc3ccc(cc3[Cl])[Cl])=O)nn2)N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.909 |
| logD: | 3.909 |
| logSw: | -4.2649 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.61 |
| InChI Key: | XCWNTWWEGZFVGU-UHFFFAOYSA-N |