rel-(3R,4S)-3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-(4-methoxybenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-(4-methoxybenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-(4-methoxybenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-2018 |
| Compound Name: | rel-(3R,4S)-3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-(4-methoxybenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 439.5 |
| Molecular Formula: | C19 H21 N O7 S2 |
| Smiles: | COc1ccc(cc1)S([C@H]1CS(C[C@@H]1NCc1ccc2c(c1)OCO2)(=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.837 |
| logD: | 0.8362 |
| logSw: | -2.2167 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.508 |
| InChI Key: | BZXFGSOFVLOVPX-VQIMIIECSA-N |