N-{4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-{4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,4-dimethoxybenzamide
N-{4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | V017-4522 |
| Compound Name: | N-{4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,4-dimethoxybenzamide |
| Molecular Weight: | 464.49 |
| Molecular Formula: | C26 H25 F N2 O5 |
| Smiles: | COc1ccc(cc1OC)C(Nc1ccc2c(CN(CCc3ccc(cc3)F)C(CO2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0818 |
| logD: | 3.0817 |
| logSw: | -3.4033 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.907 |
| InChI Key: | CMBNXPHSFODOKW-UHFFFAOYSA-N |