3-[(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)sulfanyl]-1-ethylquinoxalin-2(1H)-one
Chemical Structure Depiction of
3-[(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)sulfanyl]-1-ethylquinoxalin-2(1H)-one
3-[(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)sulfanyl]-1-ethylquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | F680-0274 |
| Compound Name: | 3-[(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)sulfanyl]-1-ethylquinoxalin-2(1H)-one |
| Molecular Weight: | 466.56 |
| Molecular Formula: | C24 H26 N4 O4 S |
| Smiles: | CCN1C(C(=Nc2ccccc12)SCC(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2426 |
| logD: | 2.1125 |
| logSw: | -2.7212 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.642 |
| InChI Key: | RREDLSJXWSAVAN-UHFFFAOYSA-N |