(2,5-dimethylphenyl)methyl 1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
(2,5-dimethylphenyl)methyl 1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
(2,5-dimethylphenyl)methyl 1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | F152-0022 |
| Compound Name: | (2,5-dimethylphenyl)methyl 1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 355.82 |
| Molecular Formula: | C19 H18 Cl N3 O2 |
| Smiles: | Cc1ccc(C)c(COC(c2c(C)n(c3ccc(cc3)[Cl])nn2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.6069 |
| logD: | 4.6069 |
| logSw: | -4.6853 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.939 |
| InChI Key: | KCXKLPLKFQJJIV-UHFFFAOYSA-N |