3-{[5-(3,4-dimethyl-5-nitrophenyl)furan-2-yl]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione
Chemical Structure Depiction of
3-{[5-(3,4-dimethyl-5-nitrophenyl)furan-2-yl]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione
3-{[5-(3,4-dimethyl-5-nitrophenyl)furan-2-yl]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione
Compound characteristics
| Compound ID: | 3270-0705 |
| Compound Name: | 3-{[5-(3,4-dimethyl-5-nitrophenyl)furan-2-yl]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione |
| Molecular Weight: | 411.41 |
| Molecular Formula: | C22 H21 N O7 |
| Smiles: | Cc1cc(cc(c1C)[N+]([O-])=O)c1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.8172 |
| logD: | 4.8172 |
| logSw: | -4.6814 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.98 |
| InChI Key: | SBBNDQUBTIWWPS-UHFFFAOYSA-N |