benzyl 1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
benzyl 1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
benzyl 1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | F152-0019 |
| Compound Name: | benzyl 1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 327.77 |
| Molecular Formula: | C17 H14 Cl N3 O2 |
| Smiles: | Cc1c(C(=O)OCc2ccccc2)nnn1c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.5909 |
| logD: | 3.5909 |
| logSw: | -3.819 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.939 |
| InChI Key: | SBRWAJXXRREDDS-UHFFFAOYSA-N |