diethyl 1-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 1-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
diethyl 1-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C337-0116 |
| Compound Name: | diethyl 1-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 390.35 |
| Molecular Formula: | C17 H18 N4 O7 |
| Smiles: | CCOC(c1c(C(=O)OCC)n(CC(Nc2ccc3c(c2)OCO3)=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4206 |
| logD: | 1.4206 |
| logSw: | -2.3237 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.747 |
| InChI Key: | PHNHBTZYGDLGFW-UHFFFAOYSA-N |