N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-phenylbutanamide
Chemical Structure Depiction of
N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-phenylbutanamide
N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-phenylbutanamide
Compound characteristics
| Compound ID: | V012-8297 |
| Compound Name: | N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-phenylbutanamide |
| Molecular Weight: | 486.57 |
| Molecular Formula: | C29 H30 N2 O5 |
| Smiles: | CCC(C(Nc1ccc2c(CN(Cc3ccc4c(c3)OCO4)C(C(CC)O2)=O)c1)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2752 |
| logD: | 5.2751 |
| logSw: | -5.1631 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.982 |
| InChI Key: | HDMRPMLWDIRNHB-UHFFFAOYSA-N |