5-amino-1-[(3-bromophenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[(3-bromophenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[(3-bromophenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C549-0793 |
| Compound Name: | 5-amino-1-[(3-bromophenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 418.31 |
| Molecular Formula: | C17 H16 Br N5 O S |
| Smiles: | CSc1cccc(c1)NC(c1c(N)n(Cc2cccc(c2)[Br])nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2388 |
| logD: | 3.2388 |
| logSw: | -3.5464 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.287 |
| InChI Key: | WRQGZOIKIPASOY-UHFFFAOYSA-N |