(4-fluorophenyl)methyl 5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
(4-fluorophenyl)methyl 5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxylate
(4-fluorophenyl)methyl 5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | F152-0322 |
| Compound Name: | (4-fluorophenyl)methyl 5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 357.4 |
| Molecular Formula: | C18 H16 F N3 O2 S |
| Smiles: | Cc1c(C(=O)OCc2ccc(cc2)F)nnn1c1cccc(c1)SC |
| Stereo: | ACHIRAL |
| logP: | 3.4485 |
| logD: | 3.4485 |
| logSw: | -3.7832 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.939 |
| InChI Key: | IUXHGXMHQGZZDU-UHFFFAOYSA-N |