N-{4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,6-dimethoxybenzamide
Chemical Structure Depiction of
N-{4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,6-dimethoxybenzamide
N-{4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,6-dimethoxybenzamide
Compound characteristics
| Compound ID: | V017-4581 |
| Compound Name: | N-{4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,6-dimethoxybenzamide |
| Molecular Weight: | 464.49 |
| Molecular Formula: | C26 H25 F N2 O5 |
| Smiles: | COc1cccc(c1C(Nc1ccc2c(CN(CCc3ccc(cc3)F)C(CO2)=O)c1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.9802 |
| logD: | 2.9211 |
| logSw: | -3.4067 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.907 |
| InChI Key: | QSPXOEPDFGFFMA-UHFFFAOYSA-N |