rel-(3R,4S)-3-{[(3-methylphenyl)methyl]amino}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-{[(3-methylphenyl)methyl]amino}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-{[(3-methylphenyl)methyl]amino}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-1644 |
| Compound Name: | rel-(3R,4S)-3-{[(3-methylphenyl)methyl]amino}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 385.52 |
| Molecular Formula: | C16 H19 N O4 S3 |
| Smiles: | Cc1cccc(CN[C@H]2CS(C[C@@H]2S(c2cccs2)(=O)=O)(=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3004 |
| logD: | 1.3003 |
| logSw: | -2.0329 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.867 |
| InChI Key: | WGBDSZMJXOYGMJ-HUUCEWRRSA-N |