(5E)-5-[(2,3-dichloroanilino)methylidene]-1-ethyl-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
(5E)-5-[(2,3-dichloroanilino)methylidene]-1-ethyl-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
(5E)-5-[(2,3-dichloroanilino)methylidene]-1-ethyl-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | IB03-6679 |
| Compound Name: | (5E)-5-[(2,3-dichloroanilino)methylidene]-1-ethyl-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 350.2 |
| Molecular Formula: | C16 H13 Cl2 N3 O2 |
| Smiles: | CCN1C(C(=C/Nc2cccc(c2[Cl])[Cl])/C(C)=C(C#N)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.15 |
| logD: | 0.4 |
| logSw: | -4.02 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.74 |
| InChI Key: | XBUPAUVDEIZWGF-UHFFFAOYSA-N |