N-{[4-(methylsulfanyl)phenyl]methyl}-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)butanamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)butanamide
N-{[4-(methylsulfanyl)phenyl]methyl}-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)butanamide
Compound characteristics
| Compound ID: | E647-3873 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)butanamide |
| Molecular Weight: | 382.52 |
| Molecular Formula: | C22 H26 N2 O2 S |
| Smiles: | CCC(C(NCc1ccc(cc1)SC)=O)N1C(CCCc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1867 |
| logD: | 4.1867 |
| logSw: | -4.2557 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.56 |
| InChI Key: | MCOGEYUSVVFZFD-IBGZPJMESA-N |