rel-(3R,4S)-3-{[2-(1H-indol-3-yl)ethyl]amino}-4-(4-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-{[2-(1H-indol-3-yl)ethyl]amino}-4-(4-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-{[2-(1H-indol-3-yl)ethyl]amino}-4-(4-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-1856 |
| Compound Name: | rel-(3R,4S)-3-{[2-(1H-indol-3-yl)ethyl]amino}-4-(4-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 432.56 |
| Molecular Formula: | C21 H24 N2 O4 S2 |
| Smiles: | Cc1ccc(cc1)S([C@H]1CS(C[C@@H]1NCCc1c[nH]c2ccccc12)(=O)=O)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.8813 |
| logD: | 1.8812 |
| logSw: | -2.5276 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.561 |
| InChI Key: | XGJHIUYQKVQASN-NHCUHLMSSA-N |