1'-[2-(naphthalen-1-yl)-2-oxoethyl]-5'-nitrospiro[[1,3]dioxolane-2,3'-indol]-2'(1'H)-one
Chemical Structure Depiction of
1'-[2-(naphthalen-1-yl)-2-oxoethyl]-5'-nitrospiro[[1,3]dioxolane-2,3'-indol]-2'(1'H)-one
1'-[2-(naphthalen-1-yl)-2-oxoethyl]-5'-nitrospiro[[1,3]dioxolane-2,3'-indol]-2'(1'H)-one
Compound characteristics
| Compound ID: | K029-0009 |
| Compound Name: | 1'-[2-(naphthalen-1-yl)-2-oxoethyl]-5'-nitrospiro[[1,3]dioxolane-2,3'-indol]-2'(1'H)-one |
| Molecular Weight: | 404.38 |
| Molecular Formula: | C22 H16 N2 O6 |
| Smiles: | C(C(c1cccc2ccccc12)=O)N1C(C2(c3cc(ccc13)[N+]([O-])=O)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2687 |
| logD: | 3.2687 |
| logSw: | -3.6775 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.964 |
| InChI Key: | HCZRMDDRUZZWON-UHFFFAOYSA-N |