3-{[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl}-1-methylquinoxalin-2(1H)-one
Chemical Structure Depiction of
3-{[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl}-1-methylquinoxalin-2(1H)-one
3-{[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl}-1-methylquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | F680-0445 |
| Compound Name: | 3-{[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl}-1-methylquinoxalin-2(1H)-one |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C22 H24 N4 O2 S |
| Smiles: | CN1C(C(=Nc2ccccc12)SCC(N1CCN(CC1)Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7312 |
| logD: | 1.7214 |
| logSw: | -2.1342 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.568 |
| InChI Key: | WNCINLDNYXALCX-UHFFFAOYSA-N |