6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 4-chlorobenzoate
Chemical Structure Depiction of
6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 4-chlorobenzoate
6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 4-chlorobenzoate
Compound characteristics
| Compound ID: | 6557-0011 |
| Compound Name: | 6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 4-chlorobenzoate |
| Molecular Weight: | 434.88 |
| Molecular Formula: | C25 H19 Cl O5 |
| Smiles: | Cc1c2C(=CC(=CC(c2c(C)o1)=O)c1ccc(cc1)OC)OC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4356 |
| logD: | 5.4356 |
| logSw: | -6.4058 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.058 |
| InChI Key: | XBNXXYHHAGBLRK-UHFFFAOYSA-N |