benzyl 1-(4-fluoro-2-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
benzyl 1-(4-fluoro-2-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
benzyl 1-(4-fluoro-2-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | F152-0702 |
| Compound Name: | benzyl 1-(4-fluoro-2-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 325.34 |
| Molecular Formula: | C18 H16 F N3 O2 |
| Smiles: | Cc1cc(ccc1n1c(C)c(C(=O)OCc2ccccc2)nn1)F |
| Stereo: | ACHIRAL |
| logP: | 3.6325 |
| logD: | 3.6325 |
| logSw: | -3.9989 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.638 |
| InChI Key: | GTNLYUGJRKFKPD-UHFFFAOYSA-N |