(3-methylphenyl)methyl 5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
(3-methylphenyl)methyl 5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxylate
(3-methylphenyl)methyl 5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | F152-0318 |
| Compound Name: | (3-methylphenyl)methyl 5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 353.44 |
| Molecular Formula: | C19 H19 N3 O2 S |
| Smiles: | Cc1cccc(COC(c2c(C)n(c3cccc(c3)SC)nn2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.1159 |
| logD: | 4.1159 |
| logSw: | -4.4398 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.939 |
| InChI Key: | RNPIIGBRTPAQFE-UHFFFAOYSA-N |