5-acetyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-methylpyridine-3-carbonitrile
Chemical Structure Depiction of
5-acetyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-methylpyridine-3-carbonitrile
5-acetyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-methylpyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8003-0393 |
| Compound Name: | 5-acetyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-methylpyridine-3-carbonitrile |
| Molecular Weight: | 344.82 |
| Molecular Formula: | C17 H13 Cl N2 O2 S |
| Smiles: | CC(c1cc(C#N)c(nc1C)SCC(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.569 |
| logD: | 3.569 |
| logSw: | -4.1665 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.421 |
| InChI Key: | BRRZLTCZTIHYCA-UHFFFAOYSA-N |