N-(2-ethyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-4-methoxybenzamide
Chemical Structure Depiction of
N-(2-ethyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-4-methoxybenzamide
N-(2-ethyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-4-methoxybenzamide
Compound characteristics
| Compound ID: | V003-2876 |
| Compound Name: | N-(2-ethyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-4-methoxybenzamide |
| Molecular Weight: | 498.5 |
| Molecular Formula: | C27 H25 F3 N2 O4 |
| Smiles: | CCC1C(N(Cc2cccc(c2)C(F)(F)F)Cc2cc(ccc2O1)NC(c1ccc(cc1)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.276 |
| logD: | 5.2759 |
| logSw: | -5.3721 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.41 |
| InChI Key: | YTVMPRRXXZYTCQ-QHCPKHFHSA-N |