(3-methoxyphenyl)methyl 1-(4-bromo-3-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
(3-methoxyphenyl)methyl 1-(4-bromo-3-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
(3-methoxyphenyl)methyl 1-(4-bromo-3-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
Compound ID: | F152-0375 |
Compound Name: | (3-methoxyphenyl)methyl 1-(4-bromo-3-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate |
Molecular Weight: | 416.27 |
Molecular Formula: | C19 H18 Br N3 O3 |
Smiles: | Cc1cc(ccc1[Br])n1c(C)c(C(=O)OCc2cccc(c2)OC)nn1 |
Stereo: | ACHIRAL |
logP: | 4.4161 |
logD: | 4.4161 |
logSw: | -4.6589 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 55.483 |
InChI Key: | KMSQGGGVGWCMSZ-UHFFFAOYSA-N |