6-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}[2,3'-bipyridine]-5-carbonitrile
Chemical Structure Depiction of
6-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}[2,3'-bipyridine]-5-carbonitrile
6-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}[2,3'-bipyridine]-5-carbonitrile
Compound characteristics
| Compound ID: | 8004-8903 |
| Compound Name: | 6-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}[2,3'-bipyridine]-5-carbonitrile |
| Molecular Weight: | 345.42 |
| Molecular Formula: | C20 H15 N3 O S |
| Smiles: | Cc1ccc(cc1)C(CSc1c(C#N)ccc(c2cccnc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.781 |
| logD: | 3.7165 |
| logSw: | -3.7823 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.264 |
| InChI Key: | ZETVRYARAIWWGU-UHFFFAOYSA-N |