3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-ethylquinoxalin-2(1H)-one
Chemical Structure Depiction of
3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-ethylquinoxalin-2(1H)-one
3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-ethylquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | F680-0204 |
| Compound Name: | 3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-ethylquinoxalin-2(1H)-one |
| Molecular Weight: | 345.46 |
| Molecular Formula: | C18 H23 N3 O2 S |
| Smiles: | CCN1C(C(=Nc2ccccc12)SCC(N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.551 |
| logD: | 2.551 |
| logSw: | -2.4722 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.317 |
| InChI Key: | MVDATTJPEDZIQT-UHFFFAOYSA-N |