dimethyl 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
dimethyl 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
Compound ID: | C337-0027 |
Compound Name: | dimethyl 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate |
Molecular Weight: | 378.34 |
Molecular Formula: | C16 H18 N4 O7 |
Smiles: | COC(c1c(C(=O)OC)n(CC(Nc2ccc(c(c2)OC)OC)=O)nn1)=O |
Stereo: | ACHIRAL |
logP: | 0.4225 |
logD: | 0.4224 |
logSw: | -2.1327 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 106.733 |
InChI Key: | APAMSAPHVBRICR-UHFFFAOYSA-N |