4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-(3-chloro-4-methylphenyl)pyrazolidine-3,5-dione
Chemical Structure Depiction of
4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-(3-chloro-4-methylphenyl)pyrazolidine-3,5-dione
4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-(3-chloro-4-methylphenyl)pyrazolidine-3,5-dione
Compound characteristics
Compound ID: | 2082-0088 |
Compound Name: | 4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-(3-chloro-4-methylphenyl)pyrazolidine-3,5-dione |
Molecular Weight: | 437.68 |
Molecular Formula: | C18 H14 Br Cl N2 O4 |
Smiles: | Cc1ccc(cc1[Cl])N1C(C(=C/c2cc(c(c(c2)[Br])O)OC)\C(N1)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.7119 |
logD: | 3.3054 |
logSw: | -3.9562 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 65.869 |
InChI Key: | RLTYJNBTKLCFFM-UHFFFAOYSA-N |