rel-(3R,4S)-3-(4-methylbenzene-1-sulfonyl)-4-{[2-(thiophen-2-yl)ethyl]amino}-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-(4-methylbenzene-1-sulfonyl)-4-{[2-(thiophen-2-yl)ethyl]amino}-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-(4-methylbenzene-1-sulfonyl)-4-{[2-(thiophen-2-yl)ethyl]amino}-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-1841 |
| Compound Name: | rel-(3R,4S)-3-(4-methylbenzene-1-sulfonyl)-4-{[2-(thiophen-2-yl)ethyl]amino}-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 399.55 |
| Molecular Formula: | C17 H21 N O4 S3 |
| Smiles: | Cc1ccc(cc1)S([C@H]1CS(C[C@@H]1NCCc1cccs1)(=O)=O)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.4891 |
| logD: | 1.489 |
| logSw: | -2.1482 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.708 |
| InChI Key: | HKLYOPJBUIMUMC-IAGOWNOFSA-N |