4-[3-(5-methylfuran-2-yl)-5-nitro-1-benzofuran-2-yl]but-3-en-2-one
Chemical Structure Depiction of
4-[3-(5-methylfuran-2-yl)-5-nitro-1-benzofuran-2-yl]but-3-en-2-one
4-[3-(5-methylfuran-2-yl)-5-nitro-1-benzofuran-2-yl]but-3-en-2-one
Compound characteristics
| Compound ID: | 5008-0035 |
| Compound Name: | 4-[3-(5-methylfuran-2-yl)-5-nitro-1-benzofuran-2-yl]but-3-en-2-one |
| Molecular Weight: | 311.29 |
| Molecular Formula: | C17 H13 N O5 |
| Smiles: | CC(/C=C/c1c(c2cc(ccc2o1)[N+]([O-])=O)c1ccc(C)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7721 |
| logD: | 3.7721 |
| logSw: | -4.2278 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.472 |
| InChI Key: | YFRDEEWYSGSZEI-UHFFFAOYSA-N |