3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1lambda~6~-thiolane-1,1-dione
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D087-0505 |
| Compound Name: | 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 402.49 |
| Molecular Formula: | C16 H22 N2 O6 S2 |
| Smiles: | C1CS(CC1S(N1CCN(CC1)Cc1ccc2c(c1)OCO2)(=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.1829 |
| logD: | 0.0741 |
| logSw: | -2.098 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 81.235 |
| InChI Key: | OZFKWHRWYZJUCM-CQSZACIVSA-N |