N-{4-[rel-(3R,4S)-4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1,1-dioxo-1lambda~6~-thiolane-3-sulfonyl]phenyl}acetamide
Chemical Structure Depiction of
N-{4-[rel-(3R,4S)-4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1,1-dioxo-1lambda~6~-thiolane-3-sulfonyl]phenyl}acetamide
N-{4-[rel-(3R,4S)-4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1,1-dioxo-1lambda~6~-thiolane-3-sulfonyl]phenyl}acetamide
Compound characteristics
| Compound ID: | D470-2382 |
| Compound Name: | N-{4-[rel-(3R,4S)-4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1,1-dioxo-1lambda~6~-thiolane-3-sulfonyl]phenyl}acetamide |
| Molecular Weight: | 466.53 |
| Molecular Formula: | C20 H22 N2 O7 S2 |
| Smiles: | CC(Nc1ccc(cc1)S([C@H]1CS(C[C@@H]1NCc1ccc2c(c1)OCO2)(=O)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.0558 |
| logD: | 0.0549 |
| logSw: | -2.0929 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.226 |
| InChI Key: | XDIMCTZYHATFMQ-YLJYHZDGSA-N |