ethyl 4-[rel-(3R,4S)-4-(4-methylbenzene-1-sulfonyl)-1,1-dioxo-1lambda~6~-thiolan-3-yl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[rel-(3R,4S)-4-(4-methylbenzene-1-sulfonyl)-1,1-dioxo-1lambda~6~-thiolan-3-yl]piperazine-1-carboxylate
ethyl 4-[rel-(3R,4S)-4-(4-methylbenzene-1-sulfonyl)-1,1-dioxo-1lambda~6~-thiolan-3-yl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | D470-1868 |
| Compound Name: | ethyl 4-[rel-(3R,4S)-4-(4-methylbenzene-1-sulfonyl)-1,1-dioxo-1lambda~6~-thiolan-3-yl]piperazine-1-carboxylate |
| Molecular Weight: | 430.54 |
| Molecular Formula: | C18 H26 N2 O6 S2 |
| Smiles: | CCOC(N1CCN(CC1)[C@H]1CS(C[C@@H]1S(c1ccc(C)cc1)(=O)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0402 |
| logD: | 1.0402 |
| logSw: | -2.2935 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 83.707 |
| InChI Key: | ZKNKDAGIHMORFE-IAGOWNOFSA-N |