rel-(3R,4S)-3-{[(2-chlorophenyl)methyl]amino}-4-(4-fluoro-3-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-{[(2-chlorophenyl)methyl]amino}-4-(4-fluoro-3-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-{[(2-chlorophenyl)methyl]amino}-4-(4-fluoro-3-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-2105 |
| Compound Name: | rel-(3R,4S)-3-{[(2-chlorophenyl)methyl]amino}-4-(4-fluoro-3-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 431.93 |
| Molecular Formula: | C18 H19 Cl F N O4 S2 |
| Smiles: | Cc1cc(ccc1F)S([C@H]1CS(C[C@@H]1NCc1ccccc1[Cl])(=O)=O)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.2276 |
| logD: | 2.2276 |
| logSw: | -3.0216 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.848 |
| InChI Key: | AGBCWAFBRXMHSM-ROUUACIJSA-N |