N-{4-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{4-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-nitrobenzamide
N-{4-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | V004-7765 |
| Compound Name: | N-{4-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-nitrobenzamide |
| Molecular Weight: | 449.44 |
| Molecular Formula: | C24 H20 F N3 O5 |
| Smiles: | CC1C(N(Cc2cc(ccc2O1)NC(c1ccc(cc1)[N+]([O-])=O)=O)Cc1ccccc1F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2345 |
| logD: | 4.2342 |
| logSw: | -4.3887 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.053 |
| InChI Key: | NMNFACLQYLFGPX-HNNXBMFYSA-N |