diethyl 1-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 1-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
diethyl 1-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C337-0115 |
| Compound Name: | diethyl 1-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 404.38 |
| Molecular Formula: | C18 H20 N4 O7 |
| Smiles: | CCOC(c1c(C(=O)OCC)n(CC(Nc2ccc3c(c2)OCCO3)=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5601 |
| logD: | 0.56 |
| logSw: | -2.1392 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.455 |
| InChI Key: | HWSKPMDFUUNXFW-UHFFFAOYSA-N |