3',3'-dimethyl-6-nitro-1'-octyl-1',3'-dihydrospiro[[1]benzopyran-2,2'-indole]
Chemical Structure Depiction of
3',3'-dimethyl-6-nitro-1'-octyl-1',3'-dihydrospiro[[1]benzopyran-2,2'-indole]
3',3'-dimethyl-6-nitro-1'-octyl-1',3'-dihydrospiro[[1]benzopyran-2,2'-indole]
Compound characteristics
| Compound ID: | 1125-0230 |
| Compound Name: | 3',3'-dimethyl-6-nitro-1'-octyl-1',3'-dihydrospiro[[1]benzopyran-2,2'-indole] |
| Molecular Weight: | 420.55 |
| Molecular Formula: | C26 H32 N2 O3 |
| Smiles: | CCCCCCCCN1c2ccccc2C(C)(C)C12C=Cc1cc(ccc1O2)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.1644 |
| logD: | 8.1644 |
| logSw: | -5.8312 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.027 |
| InChI Key: | PJUSLWPIIRXNFJ-AREMUKBSSA-N |