N-{4-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,3-dimethylbutanamide
Chemical Structure Depiction of
N-{4-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,3-dimethylbutanamide
N-{4-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,3-dimethylbutanamide
Compound characteristics
| Compound ID: | V022-5616 |
| Compound Name: | N-{4-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,3-dimethylbutanamide |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C23 H27 F N2 O3 |
| Smiles: | CC1C(N(Cc2cc(ccc2O1)NC(CC(C)(C)C)=O)Cc1ccccc1F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5408 |
| logD: | 4.5408 |
| logSw: | -4.4261 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.73 |
| InChI Key: | MNHDMTAFHOUJNG-HNNXBMFYSA-N |