4-fluoro-N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)benzamide
Chemical Structure Depiction of
4-fluoro-N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)benzamide
4-fluoro-N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)benzamide
Compound characteristics
Compound ID: | V003-7113 |
Compound Name: | 4-fluoro-N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)benzamide |
Molecular Weight: | 472.44 |
Molecular Formula: | C25 H20 F4 N2 O3 |
Smiles: | CC1C(N(Cc2cccc(c2)C(F)(F)F)Cc2cc(ccc2O1)NC(c1ccc(cc1)F)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.6685 |
logD: | 4.667 |
logSw: | -4.5629 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.672 |
InChI Key: | UBYYRMLDNKLWBU-OAHLLOKOSA-N |