(2E)-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-bromobenzoate
Chemical Structure Depiction of
(2E)-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-bromobenzoate
(2E)-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-bromobenzoate
Compound characteristics
| Compound ID: | IB09-3221 |
| Compound Name: | (2E)-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-bromobenzoate |
| Molecular Weight: | 474.31 |
| Molecular Formula: | C25 H16 Br N O4 |
| Smiles: | Cn1cc(\C=C2/C(c3ccc(cc3O2)OC(c2ccccc2[Br])=O)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 5.18 |
| logD: | 5.18 |
| logSw: | -6.63 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 83.01 |
| InChI Key: | XNUACLHZBFIESW-UHFFFAOYSA-N |