2-tert-butyl-5-{[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene}-2-methyl-1,3-dioxane-4,6-dione
Chemical Structure Depiction of
2-tert-butyl-5-{[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene}-2-methyl-1,3-dioxane-4,6-dione
2-tert-butyl-5-{[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene}-2-methyl-1,3-dioxane-4,6-dione
Compound characteristics
| Compound ID: | 3553-1746 |
| Compound Name: | 2-tert-butyl-5-{[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene}-2-methyl-1,3-dioxane-4,6-dione |
| Molecular Weight: | 415.4 |
| Molecular Formula: | C21 H21 N O8 |
| Smiles: | CC(C)(C)C1(C)OC(C(=Cc2ccc(c3cc(ccc3OC)[N+]([O-])=O)o2)C(=O)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3701 |
| logD: | 4.3701 |
| logSw: | -4.6346 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 89.93 |
| InChI Key: | GAFGTZJSEXGPMQ-UHFFFAOYSA-N |