6,7-dimethoxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-2-benzofuran-1(3H)-one
Chemical Structure Depiction of
6,7-dimethoxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-2-benzofuran-1(3H)-one
6,7-dimethoxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-2-benzofuran-1(3H)-one
Compound characteristics
| Compound ID: | 1080-0414 |
| Compound Name: | 6,7-dimethoxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-2-benzofuran-1(3H)-one |
| Molecular Weight: | 357.32 |
| Molecular Formula: | C18 H15 N O7 |
| Smiles: | COc1ccc2C(CC(c3ccc(cc3)[N+]([O-])=O)=O)OC(c2c1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6666 |
| logD: | 2.6666 |
| logSw: | -2.9737 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.991 |
| InChI Key: | XMOCCKBLDOWVGT-HNNXBMFYSA-N |