N-{4-[rel-(3R,4S)-1,1-dioxo-4-{[(pyridin-3-yl)methyl]amino}-1lambda~6~-thiolane-3-sulfonyl]phenyl}acetamide
Chemical Structure Depiction of
N-{4-[rel-(3R,4S)-1,1-dioxo-4-{[(pyridin-3-yl)methyl]amino}-1lambda~6~-thiolane-3-sulfonyl]phenyl}acetamide
N-{4-[rel-(3R,4S)-1,1-dioxo-4-{[(pyridin-3-yl)methyl]amino}-1lambda~6~-thiolane-3-sulfonyl]phenyl}acetamide
Compound characteristics
Compound ID: | D470-2385 |
Compound Name: | N-{4-[rel-(3R,4S)-1,1-dioxo-4-{[(pyridin-3-yl)methyl]amino}-1lambda~6~-thiolane-3-sulfonyl]phenyl}acetamide |
Molecular Weight: | 423.51 |
Molecular Formula: | C18 H21 N3 O5 S2 |
Smiles: | CC(Nc1ccc(cc1)S([C@H]1CS(C[C@@H]1NCc1cccnc1)(=O)=O)(=O)=O)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | -1.085 |
logD: | -1.0857 |
logSw: | -1.4899 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 102.628 |
InChI Key: | ZDAKNBKTJZFKNA-QZTJIDSGSA-N |