3-[(2-methyl-4-nitroanilino)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
Chemical Structure Depiction of
3-[(2-methyl-4-nitroanilino)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
3-[(2-methyl-4-nitroanilino)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
Compound characteristics
| Compound ID: | K699-0065 |
| Compound Name: | 3-[(2-methyl-4-nitroanilino)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione |
| Molecular Weight: | 346.34 |
| Molecular Formula: | C17 H18 N2 O6 |
| Smiles: | Cc1cc(ccc1NC=C1C(=O)OC2(CCCCC2)OC1=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9316 |
| logD: | 0.8534 |
| logSw: | -3.4503 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.614 |
| InChI Key: | LEODWYTXYBHQNR-UHFFFAOYSA-N |