5-acetyl-6-methyl-2-[(3-phenylprop-2-en-1-yl)sulfanyl]pyridine-3-carbonitrile
Chemical Structure Depiction of
5-acetyl-6-methyl-2-[(3-phenylprop-2-en-1-yl)sulfanyl]pyridine-3-carbonitrile
5-acetyl-6-methyl-2-[(3-phenylprop-2-en-1-yl)sulfanyl]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8003-0425 |
| Compound Name: | 5-acetyl-6-methyl-2-[(3-phenylprop-2-en-1-yl)sulfanyl]pyridine-3-carbonitrile |
| Molecular Weight: | 308.4 |
| Molecular Formula: | C18 H16 N2 O S |
| Smiles: | CC(c1cc(C#N)c(nc1C)SC/C=C/c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1953 |
| logD: | 4.1953 |
| logSw: | -4.3992 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.174 |
| InChI Key: | ZJECMLPOSCPQNI-UHFFFAOYSA-N |