{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(ethanesulfonyl)piperidin-4-yl]methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(ethanesulfonyl)piperidin-4-yl]methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(ethanesulfonyl)piperidin-4-yl]methanone
Compound characteristics
| Compound ID: | Y050-2538 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(ethanesulfonyl)piperidin-4-yl]methanone |
| Molecular Weight: | 423.53 |
| Molecular Formula: | C20 H29 N3 O5 S |
| Smiles: | CCS(N1CCC(CC1)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1707 |
| logD: | 0.7024 |
| logSw: | -2.4416 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.419 |
| InChI Key: | ARAISMOLAQTGSZ-UHFFFAOYSA-N |