(2,5-dimethylphenyl)methyl 5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
(2,5-dimethylphenyl)methyl 5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxylate
(2,5-dimethylphenyl)methyl 5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | F152-0317 |
| Compound Name: | (2,5-dimethylphenyl)methyl 5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 367.47 |
| Molecular Formula: | C20 H21 N3 O2 S |
| Smiles: | Cc1ccc(C)c(COC(c2c(C)n(c3cccc(c3)SC)nn2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.4354 |
| logD: | 4.4354 |
| logSw: | -4.3914 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.939 |
| InChI Key: | LDBDOGPQULVXAU-UHFFFAOYSA-N |