6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 4-nitrobenzoate
Chemical Structure Depiction of
6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 4-nitrobenzoate
6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 6557-0012 |
| Compound Name: | 6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 4-nitrobenzoate |
| Molecular Weight: | 445.43 |
| Molecular Formula: | C25 H19 N O7 |
| Smiles: | Cc1c2C(=CC(=CC(c2c(C)o1)=O)c1ccc(cc1)OC)OC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7665 |
| logD: | 4.7665 |
| logSw: | -4.8683 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.44 |
| InChI Key: | OKFUSQYZAJYYSE-UHFFFAOYSA-N |