N-{4-[(2-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-fluorobenzamide
Chemical Structure Depiction of
N-{4-[(2-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-fluorobenzamide
N-{4-[(2-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-fluorobenzamide
Compound characteristics
| Compound ID: | V017-4518 |
| Compound Name: | N-{4-[(2-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-fluorobenzamide |
| Molecular Weight: | 438.88 |
| Molecular Formula: | C24 H20 Cl F N2 O3 |
| Smiles: | CC1C(N(Cc2cc(ccc2O1)NC(c1ccc(cc1)F)=O)Cc1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6814 |
| logD: | 4.6799 |
| logSw: | -4.9185 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.672 |
| InChI Key: | YSIAFHXLGGRUPX-HNNXBMFYSA-N |