6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-nitrobenzoate
Chemical Structure Depiction of
6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-nitrobenzoate
6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-nitrobenzoate
Compound characteristics
| Compound ID: | 6557-0189 |
| Compound Name: | 6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-nitrobenzoate |
| Molecular Weight: | 459.45 |
| Molecular Formula: | C26 H21 N O7 |
| Smiles: | CCOc1ccc(cc1)C1=CC(c2c(C(=C1)OC(c1cccc(c1)[N+]([O-])=O)=O)c(C)oc2C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0531 |
| logD: | 5.0531 |
| logSw: | -4.8397 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.02 |
| InChI Key: | PSFLDIQTQHAZFB-UHFFFAOYSA-N |