2-(4-fluorophenyl)-N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)acetamide
Chemical Structure Depiction of
2-(4-fluorophenyl)-N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)acetamide
2-(4-fluorophenyl)-N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)acetamide
Compound characteristics
| Compound ID: | V003-7124 |
| Compound Name: | 2-(4-fluorophenyl)-N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)acetamide |
| Molecular Weight: | 486.47 |
| Molecular Formula: | C26 H22 F4 N2 O3 |
| Smiles: | CC1C(N(Cc2cccc(c2)C(F)(F)F)Cc2cc(ccc2O1)NC(Cc1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5573 |
| logD: | 4.5573 |
| logSw: | -4.5277 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.458 |
| InChI Key: | FRCFJRAKZXFUKG-MRXNPFEDSA-N |