rel-(3R,4S)-3-(4-chlorobenzene-1-sulfonyl)-4-{[(3-methylphenyl)methyl]amino}-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-(4-chlorobenzene-1-sulfonyl)-4-{[(3-methylphenyl)methyl]amino}-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-(4-chlorobenzene-1-sulfonyl)-4-{[(3-methylphenyl)methyl]amino}-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-2190 |
| Compound Name: | rel-(3R,4S)-3-(4-chlorobenzene-1-sulfonyl)-4-{[(3-methylphenyl)methyl]amino}-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 413.94 |
| Molecular Formula: | C18 H20 Cl N O4 S2 |
| Smiles: | Cc1cccc(CN[C@H]2CS(C[C@@H]2S(c2ccc(cc2)[Cl])(=O)=O)(=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2248 |
| logD: | 2.2247 |
| logSw: | -2.9666 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.848 |
| InChI Key: | UQKBDYMHHSGHOS-ROUUACIJSA-N |