methyl 2-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
Chemical Structure Depiction of
methyl 2-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
methyl 2-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
Compound characteristics
| Compound ID: | C711-0485 |
| Compound Name: | methyl 2-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate |
| Molecular Weight: | 391.34 |
| Molecular Formula: | C21 H13 N O7 |
| Smiles: | [H]C(=C1/C(c2cc(ccc2O1)C(=O)OC)=O)\c1ccc(c2ccccc2[N+]([O-])=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.447 |
| logD: | 4.447 |
| logSw: | -4.6296 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.187 |
| InChI Key: | DPIGKKRECUWTFH-UHFFFAOYSA-N |