4-[3-(5-methylfuran-2-yl)-5-nitro-1-benzofuran-2-yl]butan-2-one
Chemical Structure Depiction of
4-[3-(5-methylfuran-2-yl)-5-nitro-1-benzofuran-2-yl]butan-2-one
4-[3-(5-methylfuran-2-yl)-5-nitro-1-benzofuran-2-yl]butan-2-one
Compound characteristics
| Compound ID: | 3185-0182 |
| Compound Name: | 4-[3-(5-methylfuran-2-yl)-5-nitro-1-benzofuran-2-yl]butan-2-one |
| Molecular Weight: | 313.31 |
| Molecular Formula: | C17 H15 N O5 |
| Smiles: | CC(CCc1c(c2cc(ccc2o1)[N+]([O-])=O)c1ccc(C)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5031 |
| logD: | 3.5031 |
| logSw: | -3.9832 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.472 |
| InChI Key: | KEPCVLLQGUTGOW-UHFFFAOYSA-N |