N-(2-ethyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-2,4-difluorobenzamide
Chemical Structure Depiction of
N-(2-ethyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-2,4-difluorobenzamide
N-(2-ethyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-2,4-difluorobenzamide
Compound characteristics
| Compound ID: | V003-2794 |
| Compound Name: | N-(2-ethyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-2,4-difluorobenzamide |
| Molecular Weight: | 504.46 |
| Molecular Formula: | C26 H21 F5 N2 O3 |
| Smiles: | CCC1C(N(Cc2cccc(c2)C(F)(F)F)Cc2cc(ccc2O1)NC(c1ccc(cc1F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5977 |
| logD: | 5.5849 |
| logSw: | -5.5432 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.866 |
| InChI Key: | MRZBHZDGEKGOHG-JOCHJYFZSA-N |