(2,5-dimethylphenyl)methyl 1-(4-bromo-3-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
(2,5-dimethylphenyl)methyl 1-(4-bromo-3-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
(2,5-dimethylphenyl)methyl 1-(4-bromo-3-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | F152-0373 |
| Compound Name: | (2,5-dimethylphenyl)methyl 1-(4-bromo-3-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 414.3 |
| Molecular Formula: | C20 H20 Br N3 O2 |
| Smiles: | Cc1ccc(C)c(COC(c2c(C)n(c3ccc(c(C)c3)[Br])nn2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.3268 |
| logD: | 5.3268 |
| logSw: | -5.2501 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.939 |
| InChI Key: | ZXMDKDNVOTWQMK-UHFFFAOYSA-N |