2-tert-butyl-2-methyl-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-1,3-dioxane-4,6-dione
Chemical Structure Depiction of
2-tert-butyl-2-methyl-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-1,3-dioxane-4,6-dione
2-tert-butyl-2-methyl-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-1,3-dioxane-4,6-dione
Compound characteristics
| Compound ID: | 3553-1540 |
| Compound Name: | 2-tert-butyl-2-methyl-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-1,3-dioxane-4,6-dione |
| Molecular Weight: | 399.4 |
| Molecular Formula: | C21 H21 N O7 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)c1ccc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.9932 |
| logD: | 4.9932 |
| logSw: | -4.8457 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.999 |
| InChI Key: | AWGDBXKABMJNBG-UHFFFAOYSA-N |