3-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1-methylquinoxalin-2(1H)-one
Chemical Structure Depiction of
3-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1-methylquinoxalin-2(1H)-one
3-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1-methylquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | F680-0450 |
| Compound Name: | 3-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1-methylquinoxalin-2(1H)-one |
| Molecular Weight: | 407.53 |
| Molecular Formula: | C23 H25 N3 O2 S |
| Smiles: | CN1C(C(=Nc2ccccc12)SCC(N1CCC(CC1)Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3857 |
| logD: | 3.3857 |
| logSw: | -3.785 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.756 |
| InChI Key: | TVGJJSCAZANXBV-UHFFFAOYSA-N |