rel-(3R,4S)-3-{methyl[2-(pyridin-4-yl)ethyl]amino}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-{methyl[2-(pyridin-4-yl)ethyl]amino}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-{methyl[2-(pyridin-4-yl)ethyl]amino}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-1667 |
| Compound Name: | rel-(3R,4S)-3-{methyl[2-(pyridin-4-yl)ethyl]amino}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 400.54 |
| Molecular Formula: | C16 H20 N2 O4 S3 |
| Smiles: | CN(CCc1ccncc1)[C@H]1CS(C[C@@H]1S(c1cccs1)(=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.0055 |
| logD: | -0.0107 |
| logSw: | -1.5861 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.854 |
| InChI Key: | FFRRSAWBWXCXQE-HUUCEWRRSA-N |