N-{2-ethyl-4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-methylpropanamide
Chemical Structure Depiction of
N-{2-ethyl-4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-methylpropanamide
N-{2-ethyl-4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-methylpropanamide
Compound characteristics
| Compound ID: | V023-1621 |
| Compound Name: | N-{2-ethyl-4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-methylpropanamide |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C23 H27 F N2 O3 |
| Smiles: | CCC1C(N(CCc2ccc(cc2)F)Cc2cc(ccc2O1)NC(C(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1878 |
| logD: | 4.1877 |
| logSw: | -4.1288 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.116 |
| InChI Key: | GMVFIAMZSXZLJZ-FQEVSTJZSA-N |