4-{[4-(benzyloxy)-3-chloro-5-ethoxyphenyl]methylidene}-1-(4-fluorophenyl)pyrazolidine-3,5-dione
Chemical Structure Depiction of
4-{[4-(benzyloxy)-3-chloro-5-ethoxyphenyl]methylidene}-1-(4-fluorophenyl)pyrazolidine-3,5-dione
4-{[4-(benzyloxy)-3-chloro-5-ethoxyphenyl]methylidene}-1-(4-fluorophenyl)pyrazolidine-3,5-dione
Compound characteristics
| Compound ID: | 3172-0653 |
| Compound Name: | 4-{[4-(benzyloxy)-3-chloro-5-ethoxyphenyl]methylidene}-1-(4-fluorophenyl)pyrazolidine-3,5-dione |
| Molecular Weight: | 466.9 |
| Molecular Formula: | C25 H20 Cl F N2 O4 |
| Smiles: | CCOc1cc(/C=C2/C(NN(C2=O)c2ccc(cc2)F)=O)cc(c1OCc1ccccc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.9618 |
| logD: | 4.5903 |
| logSw: | -5.2167 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.371 |
| InChI Key: | KSHMYUQHXFWLEG-UHFFFAOYSA-N |