1-(2-bromophenyl)-5-methyl-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-(2-bromophenyl)-5-methyl-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
1-(2-bromophenyl)-5-methyl-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
Compound ID: | E141-1161 |
Compound Name: | 1-(2-bromophenyl)-5-methyl-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide |
Molecular Weight: | 403.3 |
Molecular Formula: | C17 H15 Br N4 O S |
Smiles: | Cc1c(C(Nc2cccc(c2)SC)=O)nnn1c1ccccc1[Br] |
Stereo: | ACHIRAL |
logP: | 3.8548 |
logD: | 3.8546 |
logSw: | -4.1049 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 49.872 |
InChI Key: | BAONJCFJCMEEGR-UHFFFAOYSA-N |