rel-(3R,4S)-3-{[(3,4-dimethoxyphenyl)methyl]amino}-4-(4-fluorobenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-{[(3,4-dimethoxyphenyl)methyl]amino}-4-(4-fluorobenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-{[(3,4-dimethoxyphenyl)methyl]amino}-4-(4-fluorobenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-1952 |
| Compound Name: | rel-(3R,4S)-3-{[(3,4-dimethoxyphenyl)methyl]amino}-4-(4-fluorobenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 443.51 |
| Molecular Formula: | C19 H22 F N O6 S2 |
| Smiles: | COc1ccc(CN[C@H]2CS(C[C@@H]2S(c2ccc(cc2)F)(=O)=O)(=O)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5855 |
| logD: | 0.5847 |
| logSw: | -2.2087 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.109 |
| InChI Key: | QZMIDIUWXPAVML-VQIMIIECSA-N |