N-(4-bromophenyl)-5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-(4-bromophenyl)-5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
N-(4-bromophenyl)-5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E141-1050 |
| Compound Name: | N-(4-bromophenyl)-5-methyl-1-[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(Nc2ccc(cc2)[Br])=O)nnn1c1cccc(c1)SC |
| Stereo: | ACHIRAL |
| logP: | 4.1277 |
| logD: | 4.1235 |
| logSw: | -4.2437 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.173 |
| InChI Key: | CTIJGQKLMVNGSW-UHFFFAOYSA-N |