6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-bromobenzoate
Chemical Structure Depiction of
6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-bromobenzoate
6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-bromobenzoate
Compound characteristics
| Compound ID: | 6557-0006 |
| Compound Name: | 6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-bromobenzoate |
| Molecular Weight: | 479.33 |
| Molecular Formula: | C25 H19 Br O5 |
| Smiles: | Cc1c2C(=CC(=CC(c2c(C)o1)=O)c1ccc(cc1)OC)OC(c1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5695 |
| logD: | 5.5695 |
| logSw: | -5.6788 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.058 |
| InChI Key: | NJEGSPFBAZMXNT-UHFFFAOYSA-N |