4-(5-methylfuran-2-yl)-6-oxo-2-[(prop-2-en-1-yl)sulfanyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
4-(5-methylfuran-2-yl)-6-oxo-2-[(prop-2-en-1-yl)sulfanyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile
4-(5-methylfuran-2-yl)-6-oxo-2-[(prop-2-en-1-yl)sulfanyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8009-6586 |
| Compound Name: | 4-(5-methylfuran-2-yl)-6-oxo-2-[(prop-2-en-1-yl)sulfanyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 274.34 |
| Molecular Formula: | C14 H14 N2 O2 S |
| Smiles: | Cc1ccc(C2CC(NC(=C2C#N)SCC=C)=O)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.512 |
| logD: | 2.441 |
| logSw: | -2.8301 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.28 |
| InChI Key: | RQHFGOYDPYINBU-JTQLQIEISA-N |