1'-benzyl-3',3'-dimethyl-6-nitro-1',3'-dihydrospiro[[1]benzopyran-2,2'-indole]
Chemical Structure Depiction of
1'-benzyl-3',3'-dimethyl-6-nitro-1',3'-dihydrospiro[[1]benzopyran-2,2'-indole]
1'-benzyl-3',3'-dimethyl-6-nitro-1',3'-dihydrospiro[[1]benzopyran-2,2'-indole]
Compound characteristics
| Compound ID: | K815-0555 |
| Compound Name: | 1'-benzyl-3',3'-dimethyl-6-nitro-1',3'-dihydrospiro[[1]benzopyran-2,2'-indole] |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C25 H22 N2 O3 |
| Smiles: | CC1(C)c2ccccc2N(Cc2ccccc2)C12C=Cc1cc(ccc1O2)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3677 |
| logD: | 6.3677 |
| logSw: | -5.746 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.777 |
| InChI Key: | SVDIELCXLAOHIR-RUZDIDTESA-N |