rel-(3R,4S)-3-(4-methylbenzene-1-sulfonyl)-4-{methyl[2-(pyridin-4-yl)ethyl]amino}-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-(4-methylbenzene-1-sulfonyl)-4-{methyl[2-(pyridin-4-yl)ethyl]amino}-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-(4-methylbenzene-1-sulfonyl)-4-{methyl[2-(pyridin-4-yl)ethyl]amino}-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-1849 |
| Compound Name: | rel-(3R,4S)-3-(4-methylbenzene-1-sulfonyl)-4-{methyl[2-(pyridin-4-yl)ethyl]amino}-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 408.54 |
| Molecular Formula: | C19 H24 N2 O4 S2 |
| Smiles: | Cc1ccc(cc1)S([C@H]1CS(C[C@@H]1N(C)CCc1ccncc1)(=O)=O)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 0.7586 |
| logD: | 0.7424 |
| logSw: | -1.9857 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.836 |
| InChI Key: | YWQRSJYYMGTVPJ-RTBURBONSA-N |