4-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-ethylquinolin-2(1H)-one
Chemical Structure Depiction of
4-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-ethylquinolin-2(1H)-one
4-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-ethylquinolin-2(1H)-one
Compound characteristics
| Compound ID: | C564-0036 |
| Compound Name: | 4-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-ethylquinolin-2(1H)-one |
| Molecular Weight: | 344.47 |
| Molecular Formula: | C19 H24 N2 O2 S |
| Smiles: | CCN1C(C=C(c2ccccc12)SCC(N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9728 |
| logD: | 2.9728 |
| logSw: | -3.5359 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.067 |
| InChI Key: | UGQFETVFCSKZPX-UHFFFAOYSA-N |