N-{4-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-phenylbutanamide
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-phenylbutanamide
N-{4-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-phenylbutanamide
Compound characteristics
| Compound ID: | V003-2994 |
| Compound Name: | N-{4-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-phenylbutanamide |
| Molecular Weight: | 494.99 |
| Molecular Formula: | C28 H28 Cl F N2 O3 |
| Smiles: | CCC(C(Nc1ccc2c(CN(Cc3ccc(cc3[Cl])F)C(C(CC)O2)=O)c1)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.4146 |
| logD: | 6.4146 |
| logSw: | -6.2135 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.866 |
| InChI Key: | RFRCONWLUPFZQL-UHFFFAOYSA-N |