4-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-2-(3-iodophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-2-(3-iodophenyl)-1,3-oxazol-5(4H)-one
4-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-2-(3-iodophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 2062-0314 |
| Compound Name: | 4-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-2-(3-iodophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 453.62 |
| Molecular Formula: | C17 H9 Cl I N O4 |
| Smiles: | C1Oc2cc(/C=C3/C(=O)OC(c4cccc(c4)I)=N3)c(cc2O1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.801 |
| logD: | 4.801 |
| logSw: | -5.0957 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.491 |
| InChI Key: | BGKCNOFUDPSUBN-UHFFFAOYSA-N |