rel-(3R,4S)-3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-1676 |
| Compound Name: | rel-(3R,4S)-3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 445.57 |
| Molecular Formula: | C18 H23 N O6 S3 |
| Smiles: | COc1ccc(CCN[C@H]2CS(C[C@@H]2S(c2cccs2)(=O)=O)(=O)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2941 |
| logD: | 0.294 |
| logSw: | -2.0835 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.969 |
| InChI Key: | USQQLGYTTWGMMZ-RHSMWYFYSA-N |