3-chloro-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-1-benzoxepine
Chemical Structure Depiction of
3-chloro-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-1-benzoxepine
3-chloro-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-1-benzoxepine
Compound characteristics
| Compound ID: | 5971-0022 |
| Compound Name: | 3-chloro-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-1-benzoxepine |
| Molecular Weight: | 408.86 |
| Molecular Formula: | C24 H18 Cl F O3 |
| Smiles: | COc1ccc(cc1OC)C1=C(C=C(c2ccc(cc2)F)c2ccccc2O1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.8118 |
| logD: | 5.8118 |
| logSw: | -6.2111 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 22.4515 |
| InChI Key: | WBLYUMVVRCPEIY-UHFFFAOYSA-N |