{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[2-(ethylsulfanyl)phenyl]methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[2-(ethylsulfanyl)phenyl]methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[2-(ethylsulfanyl)phenyl]methanone
Compound characteristics
| Compound ID: | Y030-9933 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[2-(ethylsulfanyl)phenyl]methanone |
| Molecular Weight: | 384.5 |
| Molecular Formula: | C21 H24 N2 O3 S |
| Smiles: | CCSc1ccccc1C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2291 |
| logD: | 3.0375 |
| logSw: | -3.4551 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 37.543 |
| InChI Key: | KBSRJCKRTGVLKD-UHFFFAOYSA-N |