1-benzyl-3-[2-oxo-2-(thiomorpholin-4-yl)ethyl]azepan-2-one
Chemical Structure Depiction of
1-benzyl-3-[2-oxo-2-(thiomorpholin-4-yl)ethyl]azepan-2-one
1-benzyl-3-[2-oxo-2-(thiomorpholin-4-yl)ethyl]azepan-2-one
Compound characteristics
| Compound ID: | S581-1003 |
| Compound Name: | 1-benzyl-3-[2-oxo-2-(thiomorpholin-4-yl)ethyl]azepan-2-one |
| Molecular Weight: | 346.49 |
| Molecular Formula: | C19 H26 N2 O2 S |
| Smiles: | C1CCN(Cc2ccccc2)C(C(C1)CC(N1CCSCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0618 |
| logD: | 2.0618 |
| logSw: | -2.4407 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.309 |
| InChI Key: | RETBRFYNIWQYKV-QGZVFWFLSA-N |