2-{[2-hydroxy-3-(phenylmethanesulfinyl)propyl]sulfanyl}-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-hydroxy-3-(phenylmethanesulfinyl)propyl]sulfanyl}-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile
2-{[2-hydroxy-3-(phenylmethanesulfinyl)propyl]sulfanyl}-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 4378-0488 |
| Compound Name: | 2-{[2-hydroxy-3-(phenylmethanesulfinyl)propyl]sulfanyl}-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile |
| Molecular Weight: | 514.67 |
| Molecular Formula: | C29 H26 N2 O3 S2 |
| Smiles: | COc1ccc(cc1)c1cc(c2ccccc2)c(C#N)c(n1)SCC(CS(Cc1ccccc1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8068 |
| logD: | 5.8068 |
| logSw: | -5.6988 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.435 |
| InChI Key: | XIXLKEATQXHQGR-UHFFFAOYSA-N |