benzyl 1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
benzyl 1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
benzyl 1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
Compound ID: | C200-5836 |
Compound Name: | benzyl 1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate |
Molecular Weight: | 341.8 |
Molecular Formula: | C18 H16 Cl N3 O2 |
Smiles: | Cc1ccc(cc1[Cl])n1c(C)c(C(=O)OCc2ccccc2)nn1 |
Stereo: | ACHIRAL |
logP: | 4.246 |
logD: | 4.246 |
logSw: | -4.4764 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 47.939 |
InChI Key: | WMHHYOAAKKYAIY-UHFFFAOYSA-N |