2-{[2-hydroxy-3-(octane-1-sulfonyl)propyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-hydroxy-3-(octane-1-sulfonyl)propyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
2-{[2-hydroxy-3-(octane-1-sulfonyl)propyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8004-2271 |
| Compound Name: | 2-{[2-hydroxy-3-(octane-1-sulfonyl)propyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile |
| Molecular Weight: | 520.65 |
| Molecular Formula: | C22 H27 F3 N2 O3 S3 |
| Smiles: | CCCCCCCCS(CC(CSc1c(C#N)c(cc(c2cccs2)n1)C(F)(F)F)O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5177 |
| logD: | 6.5177 |
| logSw: | -5.7231 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.708 |
| InChI Key: | GJLGKJIVFRIBEN-INIZCTEOSA-N |