N-(2-ethyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-3,5-dimethoxybenzamide
Chemical Structure Depiction of
N-(2-ethyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-3,5-dimethoxybenzamide
N-(2-ethyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-3,5-dimethoxybenzamide
Compound characteristics
| Compound ID: | V014-8084 |
| Compound Name: | N-(2-ethyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-3,5-dimethoxybenzamide |
| Molecular Weight: | 528.53 |
| Molecular Formula: | C28 H27 F3 N2 O5 |
| Smiles: | CCC1C(N(Cc2cccc(c2)C(F)(F)F)Cc2cc(ccc2O1)NC(c1cc(cc(c1)OC)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.559 |
| logD: | 5.559 |
| logSw: | -5.5559 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.954 |
| InChI Key: | RMGPFWZCXKXIMO-DEOSSOPVSA-N |