N-{2-ethyl-4-[(3-methoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-{2-ethyl-4-[(3-methoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-(trifluoromethyl)benzamide
N-{2-ethyl-4-[(3-methoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | V003-7362 |
| Compound Name: | N-{2-ethyl-4-[(3-methoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-(trifluoromethyl)benzamide |
| Molecular Weight: | 498.5 |
| Molecular Formula: | C27 H25 F3 N2 O4 |
| Smiles: | CCC1C(N(Cc2cccc(c2)OC)Cc2cc(ccc2O1)NC(c1ccc(cc1)C(F)(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4649 |
| logD: | 5.4647 |
| logSw: | -5.5123 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.41 |
| InChI Key: | YFMTVPWGTDIJLJ-HSZRJFAPSA-N |