5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione
Chemical Structure Depiction of
5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione
5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione
Compound characteristics
| Compound ID: | 4995-0262 |
| Compound Name: | 5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione |
| Molecular Weight: | 373.32 |
| Molecular Formula: | C18 H15 N O8 |
| Smiles: | CC1(C)OC(C(=Cc2ccc(c3ccc(cc3[N+]([O-])=O)OC)o2)C(=O)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4767 |
| logD: | 3.4767 |
| logSw: | -4.0761 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 89.638 |
| InChI Key: | MQADWOIOVQWWNA-UHFFFAOYSA-N |