benzyl 5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
benzyl 5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxylate
benzyl 5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | F152-0314 |
| Compound Name: | benzyl 5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 339.41 |
| Molecular Formula: | C18 H17 N3 O2 S |
| Smiles: | Cc1c(C(=O)OCc2ccccc2)nnn1c1cccc(c1)SC |
| Stereo: | ACHIRAL |
| logP: | 3.4194 |
| logD: | 3.4194 |
| logSw: | -3.8189 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.939 |
| InChI Key: | BVSPHEQLYPCYJA-UHFFFAOYSA-N |