rel-(3R,4S)-3-[butyl(methyl)amino]-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-[butyl(methyl)amino]-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-[butyl(methyl)amino]-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-1711 |
| Compound Name: | rel-(3R,4S)-3-[butyl(methyl)amino]-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 351.5 |
| Molecular Formula: | C13 H21 N O4 S3 |
| Smiles: | CCCCN(C)[C@H]1CS(C[C@@H]1S(c1cccs1)(=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9775 |
| logD: | 0.9775 |
| logSw: | -2.0746 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.698 |
| InChI Key: | INTRRKWJPWPGFI-VXGBXAGGSA-N |