N-(4-{rel-(3R,4S)-4-[4-(4-fluorophenyl)piperazin-1-yl]-1,1-dioxo-1lambda~6~-thiolane-3-sulfonyl}phenyl)acetamide
Chemical Structure Depiction of
N-(4-{rel-(3R,4S)-4-[4-(4-fluorophenyl)piperazin-1-yl]-1,1-dioxo-1lambda~6~-thiolane-3-sulfonyl}phenyl)acetamide
N-(4-{rel-(3R,4S)-4-[4-(4-fluorophenyl)piperazin-1-yl]-1,1-dioxo-1lambda~6~-thiolane-3-sulfonyl}phenyl)acetamide
Compound characteristics
Compound ID: | D470-2399 |
Compound Name: | N-(4-{rel-(3R,4S)-4-[4-(4-fluorophenyl)piperazin-1-yl]-1,1-dioxo-1lambda~6~-thiolane-3-sulfonyl}phenyl)acetamide |
Molecular Weight: | 495.59 |
Molecular Formula: | C22 H26 F N3 O5 S2 |
Smiles: | CC(Nc1ccc(cc1)S([C@H]1CS(C[C@@H]1N1CCN(CC1)c1ccc(cc1)F)(=O)=O)(=O)=O)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 1.0662 |
logD: | 1.0661 |
logSw: | -2.3005 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 87.45 |
InChI Key: | ZGKZPINYEKECKP-FGZHOGPDSA-N |