N-{4-[rel-(3R,4S)-1,1-dioxo-4-{[(pyridin-4-yl)methyl]amino}-1lambda~6~-thiolane-3-sulfonyl]phenyl}acetamide
Chemical Structure Depiction of
N-{4-[rel-(3R,4S)-1,1-dioxo-4-{[(pyridin-4-yl)methyl]amino}-1lambda~6~-thiolane-3-sulfonyl]phenyl}acetamide
N-{4-[rel-(3R,4S)-1,1-dioxo-4-{[(pyridin-4-yl)methyl]amino}-1lambda~6~-thiolane-3-sulfonyl]phenyl}acetamide
Compound characteristics
| Compound ID: | D470-2386 |
| Compound Name: | N-{4-[rel-(3R,4S)-1,1-dioxo-4-{[(pyridin-4-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]1NCc1ccncc1)(=O)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -1.2138 |
| logD: | -1.2291 |
| logSw: | -1.6963 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.539 |
| InChI Key: | PIJGAZYIYYDQQG-QZTJIDSGSA-N |