7-chloro-N-(3-fluorophenyl)-9-methoxy-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
7-chloro-N-(3-fluorophenyl)-9-methoxy-1-benzoxepine-4-carboxamide
7-chloro-N-(3-fluorophenyl)-9-methoxy-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0604 |
| Compound Name: | 7-chloro-N-(3-fluorophenyl)-9-methoxy-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 345.76 |
| Molecular Formula: | C18 H13 Cl F N O3 |
| Smiles: | COc1cc(cc2C=C(C=COc12)C(Nc1cccc(c1)F)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.819 |
| logD: | 4.8187 |
| logSw: | -4.9135 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.269 |
| InChI Key: | ZVKIEUJWDGEXSH-UHFFFAOYSA-N |