rel-(3R,4S)-3-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-4-(4-methoxybenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-4-(4-methoxybenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-4-(4-methoxybenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-1997 |
| Compound Name: | rel-(3R,4S)-3-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-4-(4-methoxybenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 413.55 |
| Molecular Formula: | C19 H27 N O5 S2 |
| Smiles: | COc1ccc(cc1)S([C@H]1CS(C[C@@H]1NCCC1CCCCC=1)(=O)=O)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.4595 |
| logD: | 1.4594 |
| logSw: | -2.1306 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.426 |
| InChI Key: | XYAPQEPKIFOGJT-RTBURBONSA-N |