4-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(3,4-dichlorophenyl)pyrazolidine-3,5-dione
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(3,4-dichlorophenyl)pyrazolidine-3,5-dione
4-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(3,4-dichlorophenyl)pyrazolidine-3,5-dione
Compound characteristics
Compound ID: | 8010-2615 |
Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(3,4-dichlorophenyl)pyrazolidine-3,5-dione |
Molecular Weight: | 377.18 |
Molecular Formula: | C17 H10 Cl2 N2 O4 |
Smiles: | C1Oc2ccc(\C=C3/C(NN(C3=O)c3ccc(c(c3)[Cl])[Cl])=O)cc2O1 |
Stereo: | ACHIRAL |
logP: | 3.7322 |
logD: | 2.664 |
logSw: | -4.2759 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 59.875 |
InChI Key: | CEQPKVOXQXHKFE-UHFFFAOYSA-N |