rel-(3R,4S)-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-1696 |
| Compound Name: | rel-(3R,4S)-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 428.55 |
| Molecular Formula: | C16 H20 N4 O4 S3 |
| Smiles: | C1CN(CCN1c1ncccn1)[C@H]1CS(C[C@@H]1S(c1cccs1)(=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5494 |
| logD: | 0.5493 |
| logSw: | -1.8578 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.568 |
| InChI Key: | GRXSTALOTWCUKU-ZIAGYGMSSA-N |