5-amino-N-[3-(methylsulfanyl)phenyl]-1-{[4-(methylsulfanyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-[3-(methylsulfanyl)phenyl]-1-{[4-(methylsulfanyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide
5-amino-N-[3-(methylsulfanyl)phenyl]-1-{[4-(methylsulfanyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C549-0577 |
| Compound Name: | 5-amino-N-[3-(methylsulfanyl)phenyl]-1-{[4-(methylsulfanyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 385.51 |
| Molecular Formula: | C18 H19 N5 O S2 |
| Smiles: | CSc1ccc(Cn2c(c(C(Nc3cccc(c3)SC)=O)nn2)N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2472 |
| logD: | 3.2471 |
| logSw: | -3.514 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.287 |
| InChI Key: | DUXNVGXUZLORGV-UHFFFAOYSA-N |