5-[bis(5-ethylfuran-2-yl)methyl]-6-nitro-2H-1,3-benzodioxole
Chemical Structure Depiction of
5-[bis(5-ethylfuran-2-yl)methyl]-6-nitro-2H-1,3-benzodioxole
5-[bis(5-ethylfuran-2-yl)methyl]-6-nitro-2H-1,3-benzodioxole
Compound characteristics
| Compound ID: | 5008-0130 |
| Compound Name: | 5-[bis(5-ethylfuran-2-yl)methyl]-6-nitro-2H-1,3-benzodioxole |
| Molecular Weight: | 369.37 |
| Molecular Formula: | C20 H19 N O6 |
| Smiles: | CCc1ccc(C(c2cc3c(cc2[N+]([O-])=O)OCO3)c2ccc(CC)o2)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.6386 |
| logD: | 5.6386 |
| logSw: | -5.5157 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.574 |
| InChI Key: | AYXGFFXMZRKCGX-UHFFFAOYSA-N |