ethyl (8-methoxy-3',3'-dimethyl-6-nitrospiro[[1]benzopyran-2,2'-indol]-1'(3'H)-yl)acetate
Chemical Structure Depiction of
ethyl (8-methoxy-3',3'-dimethyl-6-nitrospiro[[1]benzopyran-2,2'-indol]-1'(3'H)-yl)acetate
ethyl (8-methoxy-3',3'-dimethyl-6-nitrospiro[[1]benzopyran-2,2'-indol]-1'(3'H)-yl)acetate
Compound characteristics
| Compound ID: | K815-0550 |
| Compound Name: | ethyl (8-methoxy-3',3'-dimethyl-6-nitrospiro[[1]benzopyran-2,2'-indol]-1'(3'H)-yl)acetate |
| Molecular Weight: | 424.45 |
| Molecular Formula: | C23 H24 N2 O6 |
| Smiles: | CCOC(CN1c2ccccc2C(C)(C)C12C=Cc1cc(cc(c1O2)OC)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.759 |
| logD: | 4.759 |
| logSw: | -4.5933 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.522 |
| InChI Key: | HKOGKXZXSOANBD-HSZRJFAPSA-N |