rel-(3R,4S)-3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-1687 |
| Compound Name: | rel-(3R,4S)-3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 484.61 |
| Molecular Formula: | C20 H24 N2 O6 S3 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)[C@H]1CS(C[C@@H]1S(c1cccs1)(=O)=O)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 0.9369 |
| logD: | 0.6972 |
| logSw: | -2.1806 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 82.602 |
| InChI Key: | GAIUFDHFOPJGEZ-VQIMIIECSA-N |