benzyl 1-(3-fluoro-4-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
benzyl 1-(3-fluoro-4-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
benzyl 1-(3-fluoro-4-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | F152-0434 |
| Compound Name: | benzyl 1-(3-fluoro-4-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 325.34 |
| Molecular Formula: | C18 H16 F N3 O2 |
| Smiles: | Cc1ccc(cc1F)n1c(C)c(C(=O)OCc2ccccc2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 3.6523 |
| logD: | 3.6523 |
| logSw: | -3.9287 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.939 |
| InChI Key: | IQDCWURKDRNUPV-UHFFFAOYSA-N |