3,3-dimethyl-N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)butanamide
Chemical Structure Depiction of
3,3-dimethyl-N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)butanamide
3,3-dimethyl-N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)butanamide
Compound characteristics
| Compound ID: | V003-7146 |
| Compound Name: | 3,3-dimethyl-N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)butanamide |
| Molecular Weight: | 448.48 |
| Molecular Formula: | C24 H27 F3 N2 O3 |
| Smiles: | CC1C(N(Cc2cccc(c2)C(F)(F)F)Cc2cc(ccc2O1)NC(CC(C)(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8714 |
| logD: | 4.8713 |
| logSw: | -4.7693 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.73 |
| InChI Key: | ONBFYZLXTLRJGM-HNNXBMFYSA-N |