rel-(3R,4S)-3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-(4-fluorobenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-(4-fluorobenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-(4-fluorobenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-1949 |
| Compound Name: | rel-(3R,4S)-3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-(4-fluorobenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 457.54 |
| Molecular Formula: | C20 H24 F N O6 S2 |
| Smiles: | COc1ccc(CCN[C@H]2CS(C[C@@H]2S(c2ccc(cc2)F)(=O)=O)(=O)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6528 |
| logD: | 0.6527 |
| logSw: | -2.1904 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.951 |
| InChI Key: | LEKQUUXOGXHZHH-YLJYHZDGSA-N |