N-(2-ethyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-2-(3-methoxyphenyl)acetamide
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-(3-methoxyphenyl)acetamide
N-(2-ethyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-2-(3-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | V003-2806 |
| Compound Name: | N-(2-ethyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-2-(3-methoxyphenyl)acetamide |
| Molecular Weight: | 512.53 |
| Molecular Formula: | C28 H27 F3 N2 O4 |
| Smiles: | CCC1C(N(Cc2cccc(c2)C(F)(F)F)Cc2cc(ccc2O1)NC(Cc1cccc(c1)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2834 |
| logD: | 5.2834 |
| logSw: | -5.3989 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.197 |
| InChI Key: | IFAINEVGFCYDHX-DEOSSOPVSA-N |