{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(phenylmethanesulfonyl)piperidin-4-yl]methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(phenylmethanesulfonyl)piperidin-4-yl]methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(phenylmethanesulfonyl)piperidin-4-yl]methanone
Compound characteristics
| Compound ID: | D356-0361 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(phenylmethanesulfonyl)piperidin-4-yl]methanone |
| Molecular Weight: | 485.6 |
| Molecular Formula: | C25 H31 N3 O5 S |
| Smiles: | C1CN(CCC1C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)S(Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1352 |
| logD: | 1.6668 |
| logSw: | -2.7763 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.148 |
| InChI Key: | FVJVTVPOAYFCDK-UHFFFAOYSA-N |