N-{4-[(2-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-phenylbutanamide
Chemical Structure Depiction of
N-{4-[(2-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-phenylbutanamide
N-{4-[(2-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-phenylbutanamide
Compound characteristics
| Compound ID: | V003-3480 |
| Compound Name: | N-{4-[(2-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-phenylbutanamide |
| Molecular Weight: | 462.98 |
| Molecular Formula: | C27 H27 Cl N2 O3 |
| Smiles: | CCC(C(Nc1ccc2c(CN(Cc3ccccc3[Cl])C(C(C)O2)=O)c1)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5195 |
| logD: | 5.5194 |
| logSw: | -5.9762 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.672 |
| InChI Key: | IPEGWCPHEZEPGS-UHFFFAOYSA-N |