rel-(3R,4S)-3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-(4-fluoro-3-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-(4-fluoro-3-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-(4-fluoro-3-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-2131 |
| Compound Name: | rel-(3R,4S)-3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-(4-fluoro-3-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 471.57 |
| Molecular Formula: | C21 H26 F N O6 S2 |
| Smiles: | Cc1cc(ccc1F)S([C@H]1CS(C[C@@H]1NCCc1ccc(c(c1)OC)OC)(=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0148 |
| logD: | 1.0147 |
| logSw: | -2.2386 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.951 |
| InChI Key: | VDMPZDKBXIRVML-WIYYLYMNSA-N |