N-{4-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,6-difluorobenzamide
Chemical Structure Depiction of
N-{4-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,6-difluorobenzamide
N-{4-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,6-difluorobenzamide
Compound characteristics
| Compound ID: | V003-3016 |
| Compound Name: | N-{4-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,6-difluorobenzamide |
| Molecular Weight: | 488.89 |
| Molecular Formula: | C25 H20 Cl F3 N2 O3 |
| Smiles: | CCC1C(N(Cc2cc(ccc2O1)NC(c1c(cccc1F)F)=O)Cc1ccc(cc1[Cl])F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8418 |
| logD: | 5.8289 |
| logSw: | -6.2922 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.866 |
| InChI Key: | RYPPIQQDMZPMPO-NRFANRHFSA-N |