N'~4~,N'~5~-bis[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(4-nitrophenyl)-1H-1,2,3-triazole-4,5-dicarbohydrazide
Chemical Structure Depiction of
N'~4~,N'~5~-bis[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(4-nitrophenyl)-1H-1,2,3-triazole-4,5-dicarbohydrazide
N'~4~,N'~5~-bis[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(4-nitrophenyl)-1H-1,2,3-triazole-4,5-dicarbohydrazide
Compound characteristics
| Compound ID: | Y508-0172 |
| Compound Name: | N'~4~,N'~5~-bis[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(4-nitrophenyl)-1H-1,2,3-triazole-4,5-dicarbohydrazide |
| Molecular Weight: | 570.48 |
| Molecular Formula: | C26 H18 N8 O8 |
| Smiles: | C1Oc2ccc(/C=N/NC(c3c(C(N/N=C/c4ccc5c(c4)OCO5)=O)n(c4ccc(cc4)[N+]([O-])=O)nn3)=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 3.6496 |
| logD: | 3.6286 |
| logSw: | -3.9766 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 164.355 |
| InChI Key: | CEFHSRRBPXMOSZ-UHFFFAOYSA-N |