1'-[2-(2,5-dimethylfuran-3-yl)-2-oxoethyl]-5'-nitrospiro[[1,3]dioxolane-2,3'-indol]-2'(1'H)-one
Chemical Structure Depiction of
1'-[2-(2,5-dimethylfuran-3-yl)-2-oxoethyl]-5'-nitrospiro[[1,3]dioxolane-2,3'-indol]-2'(1'H)-one
1'-[2-(2,5-dimethylfuran-3-yl)-2-oxoethyl]-5'-nitrospiro[[1,3]dioxolane-2,3'-indol]-2'(1'H)-one
Compound characteristics
| Compound ID: | K029-0017 |
| Compound Name: | 1'-[2-(2,5-dimethylfuran-3-yl)-2-oxoethyl]-5'-nitrospiro[[1,3]dioxolane-2,3'-indol]-2'(1'H)-one |
| Molecular Weight: | 372.33 |
| Molecular Formula: | C18 H16 N2 O7 |
| Smiles: | Cc1cc(C(CN2C(C3(c4cc(ccc24)[N+]([O-])=O)OCCO3)=O)=O)c(C)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.1783 |
| logD: | 2.1783 |
| logSw: | -3.0203 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.983 |
| InChI Key: | OYZMYCJPRHQPJZ-UHFFFAOYSA-N |