N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetamide
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetamide
Compound characteristics
| Compound ID: | E647-0215 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetamide |
| Molecular Weight: | 417.3 |
| Molecular Formula: | C20 H21 Br N2 O3 |
| Smiles: | COc1ccc(cc1CNC(CN1C(CCCc2ccccc12)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.062 |
| logD: | 4.062 |
| logSw: | -4.2091 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.052 |
| InChI Key: | SQULPYORTBLPHX-UHFFFAOYSA-N |