2-{[3-(butane-1-sulfinyl)-2-hydroxypropyl]sulfanyl}-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[3-(butane-1-sulfinyl)-2-hydroxypropyl]sulfanyl}-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile
2-{[3-(butane-1-sulfinyl)-2-hydroxypropyl]sulfanyl}-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 4378-0482 |
| Compound Name: | 2-{[3-(butane-1-sulfinyl)-2-hydroxypropyl]sulfanyl}-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile |
| Molecular Weight: | 480.65 |
| Molecular Formula: | C26 H28 N2 O3 S2 |
| Smiles: | CCCCS(CC(CSc1c(C#N)c(cc(c2ccc(cc2)OC)n1)c1ccccc1)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9291 |
| logD: | 5.9291 |
| logSw: | -5.4899 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.706 |
| InChI Key: | ULJIWZQDYUVLLQ-UHFFFAOYSA-N |