rel-(3R,4S)-3-{[2-(1H-indol-3-yl)ethyl]amino}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-{[2-(1H-indol-3-yl)ethyl]amino}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-{[2-(1H-indol-3-yl)ethyl]amino}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-1674 |
| Compound Name: | rel-(3R,4S)-3-{[2-(1H-indol-3-yl)ethyl]amino}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 424.56 |
| Molecular Formula: | C18 H20 N2 O4 S3 |
| Smiles: | C(CN[C@H]1CS(C[C@@H]1S(c1cccs1)(=O)=O)(=O)=O)c1c[nH]c2ccccc12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1282 |
| logD: | 1.1281 |
| logSw: | -2.0764 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.579 |
| InChI Key: | XJYDYODGOSSMPJ-IAGOWNOFSA-N |