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 |