rel-(3R,4S)-3-{[2-(4-fluorophenyl)ethyl]amino}-4-(4-methoxybenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-{[2-(4-fluorophenyl)ethyl]amino}-4-(4-methoxybenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-{[2-(4-fluorophenyl)ethyl]amino}-4-(4-methoxybenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-2027 |
| Compound Name: | rel-(3R,4S)-3-{[2-(4-fluorophenyl)ethyl]amino}-4-(4-methoxybenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 427.51 |
| Molecular Formula: | C19 H22 F N O5 S2 |
| Smiles: | COc1ccc(cc1)S([C@H]1CS(C[C@@H]1NCCc1ccc(cc1)F)(=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1181 |
| logD: | 1.118 |
| logSw: | -2.1342 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.234 |
| InChI Key: | IVQNBZNDGICHAQ-RTBURBONSA-N |