4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-bromophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-bromophenyl)-1,3-oxazol-5(4H)-one
4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-bromophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K076-0665 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-bromophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 372.17 |
| Molecular Formula: | C17 H10 Br N O4 |
| Smiles: | C1Oc2ccc(/C=C3/C(=O)OC(c4ccc(cc4)[Br])=N3)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 4.0286 |
| logD: | 4.0286 |
| logSw: | -4.3731 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.491 |
| InChI Key: | QGUATBJTUDYXDL-UHFFFAOYSA-N |