rel-(3R,4S)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-1690 |
| Compound Name: | rel-(3R,4S)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 454.63 |
| Molecular Formula: | C20 H26 N2 O4 S3 |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)[C@H]1CS(C[C@@H]1S(c1cccs1)(=O)=O)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.5083 |
| logD: | 2.5083 |
| logSw: | -2.5215 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.905 |
| InChI Key: | ATDYSMNDOLWZNV-RTBURBONSA-N |