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 |