rel-(3R,4S)-3-[4-(3-methylphenyl)piperazin-1-yl]-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-[4-(3-methylphenyl)piperazin-1-yl]-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-[4-(3-methylphenyl)piperazin-1-yl]-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-1688 |
| Compound Name: | rel-(3R,4S)-3-[4-(3-methylphenyl)piperazin-1-yl]-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 440.6 |
| Molecular Formula: | C19 H24 N2 O4 S3 |
| Smiles: | Cc1cccc(c1)N1CCN(CC1)[C@H]1CS(C[C@@H]1S(c1cccs1)(=O)=O)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.8273 |
| logD: | 1.8272 |
| logSw: | -2.2959 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.206 |
| InChI Key: | CTWOBLNWFZZNDE-QZTJIDSGSA-N |