dimethyl 1-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
dimethyl 1-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C337-0049 |
| Compound Name: | dimethyl 1-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 362.3 |
| Molecular Formula: | C15 H14 N4 O7 |
| Smiles: | COC(c1c(C(=O)OC)n(CC(Nc2ccc3c(c2)OCO3)=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7207 |
| logD: | 0.7206 |
| logSw: | -2.1236 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.587 |
| InChI Key: | FEPYWKWETVMRHZ-UHFFFAOYSA-N |