rel-(3R,4S)-3-{[(pyridin-4-yl)methyl]amino}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-{[(pyridin-4-yl)methyl]amino}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-{[(pyridin-4-yl)methyl]amino}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-1658 |
| Compound Name: | rel-(3R,4S)-3-{[(pyridin-4-yl)methyl]amino}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 372.48 |
| Molecular Formula: | C14 H16 N2 O4 S3 |
| Smiles: | C(c1ccncc1)N[C@H]1CS(C[C@@H]1S(c1cccs1)(=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.7447 |
| logD: | -0.7598 |
| logSw: | -1.5729 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.295 |
| InChI Key: | USDSLFMEUHJYBS-CHWSQXEVSA-N |