3-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1-[(4-methylphenyl)methyl]quinoxalin-2(1H)-one
Chemical Structure Depiction of
3-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1-[(4-methylphenyl)methyl]quinoxalin-2(1H)-one
3-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1-[(4-methylphenyl)methyl]quinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | F680-0648 |
| Compound Name: | 3-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1-[(4-methylphenyl)methyl]quinoxalin-2(1H)-one |
| Molecular Weight: | 497.66 |
| Molecular Formula: | C30 H31 N3 O2 S |
| Smiles: | Cc1ccc(CN2C(C(=Nc3ccccc23)SCC(N2CCC(CC2)Cc2ccccc2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7513 |
| logD: | 5.7513 |
| logSw: | -5.4619 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.718 |
| InChI Key: | JXEFXNJBQPCTQW-UHFFFAOYSA-N |