3-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-5-(4-methylphenyl)furan-2(3H)-one
Chemical Structure Depiction of
3-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-5-(4-methylphenyl)furan-2(3H)-one
3-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-5-(4-methylphenyl)furan-2(3H)-one
Compound characteristics
| Compound ID: | 3667-0209 |
| Compound Name: | 3-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-5-(4-methylphenyl)furan-2(3H)-one |
| Molecular Weight: | 385.21 |
| Molecular Formula: | C19 H13 Br O4 |
| Smiles: | Cc1ccc(cc1)C1=C/C(=C\c2cc3c(cc2[Br])OCO3)C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 4.9678 |
| logD: | 4.9678 |
| logSw: | -4.7319 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.855 |
| InChI Key: | MQIUJGNGJJBJFP-UHFFFAOYSA-N |