rel-(3R,4S)-3-(4-methoxybenzene-1-sulfonyl)-4-{[(pyridin-4-yl)methyl]amino}-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-(4-methoxybenzene-1-sulfonyl)-4-{[(pyridin-4-yl)methyl]amino}-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-(4-methoxybenzene-1-sulfonyl)-4-{[(pyridin-4-yl)methyl]amino}-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-2022 |
| Compound Name: | rel-(3R,4S)-3-(4-methoxybenzene-1-sulfonyl)-4-{[(pyridin-4-yl)methyl]amino}-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 396.48 |
| Molecular Formula: | C17 H20 N2 O5 S2 |
| Smiles: | COc1ccc(cc1)S([C@H]1CS(C[C@@H]1NCc1ccncc1)(=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.4326 |
| logD: | -0.4478 |
| logSw: | -1.8372 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.82 |
| InChI Key: | AERZPNAJQGJUQV-IAGOWNOFSA-N |