rel-(3R,4S)-3-(benzenesulfonyl)-4-{[2-(3-methoxyphenyl)ethyl]amino}-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-(benzenesulfonyl)-4-{[2-(3-methoxyphenyl)ethyl]amino}-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-(benzenesulfonyl)-4-{[2-(3-methoxyphenyl)ethyl]amino}-1lambda~6~-thiolane-1,1-dione
Compound characteristics
Compound ID: | D470-1756 |
Compound Name: | rel-(3R,4S)-3-(benzenesulfonyl)-4-{[2-(3-methoxyphenyl)ethyl]amino}-1lambda~6~-thiolane-1,1-dione |
Molecular Weight: | 409.52 |
Molecular Formula: | C19 H23 N O5 S2 |
Smiles: | COc1cccc(CCN[C@H]2CS(C[C@@H]2S(c2ccccc2)(=O)=O)(=O)=O)c1 |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 0.9211 |
logD: | 0.921 |
logSw: | -2.0711 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 77.234 |
InChI Key: | ZPQFNGIHVRFDQY-RTBURBONSA-N |