dimethyl 1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-1H-1,2,3-triazole-4,5-dicarboxylate
dimethyl 1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C200-4677 |
| Compound Name: | dimethyl 1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 376.32 |
| Molecular Formula: | C16 H16 N4 O7 |
| Smiles: | COC(c1c(C(=O)OC)n(CC(NCc2ccc3c(c2)OCO3)=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3784 |
| logD: | 0.3784 |
| logSw: | -2.0763 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.909 |
| InChI Key: | VUIXMCWITADZLH-UHFFFAOYSA-N |