N-{4-[rel-(3R,4S)-4-{[2-(4-chlorophenyl)ethyl]amino}-1,1-dioxo-1lambda~6~-thiolane-3-sulfonyl]phenyl}acetamide
Chemical Structure Depiction of
N-{4-[rel-(3R,4S)-4-{[2-(4-chlorophenyl)ethyl]amino}-1,1-dioxo-1lambda~6~-thiolane-3-sulfonyl]phenyl}acetamide
N-{4-[rel-(3R,4S)-4-{[2-(4-chlorophenyl)ethyl]amino}-1,1-dioxo-1lambda~6~-thiolane-3-sulfonyl]phenyl}acetamide
Compound characteristics
| Compound ID: | D470-2405 |
| Compound Name: | N-{4-[rel-(3R,4S)-4-{[2-(4-chlorophenyl)ethyl]amino}-1,1-dioxo-1lambda~6~-thiolane-3-sulfonyl]phenyl}acetamide |
| Molecular Weight: | 470.99 |
| Molecular Formula: | C20 H23 Cl N2 O5 S2 |
| Smiles: | CC(Nc1ccc(cc1)S([C@H]1CS(C[C@@H]1NCCc1ccc(cc1)[Cl])(=O)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9026 |
| logD: | 0.9023 |
| logSw: | -2.4626 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.952 |
| InChI Key: | QTYYFOFTCVVIPB-PMACEKPBSA-N |