dimethyl 1-{2-[4-(methoxycarbonyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-{2-[4-(methoxycarbonyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
dimethyl 1-{2-[4-(methoxycarbonyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
Compound ID: | C200-4675 |
Compound Name: | dimethyl 1-{2-[4-(methoxycarbonyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate |
Molecular Weight: | 376.32 |
Molecular Formula: | C16 H16 N4 O7 |
Smiles: | COC(c1ccc(cc1)NC(Cn1c(C(=O)OC)c(C(=O)OC)nn1)=O)=O |
Stereo: | ACHIRAL |
logP: | 0.9783 |
logD: | 0.9782 |
logSw: | -2.1184 |
Hydrogen bond acceptors count: | 13 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 112.646 |
InChI Key: | WNIQREMHVJSMTE-UHFFFAOYSA-N |