2-(hexylsulfanyl)-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
2-(hexylsulfanyl)-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
2-(hexylsulfanyl)-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 3331-3968 |
| Compound Name: | 2-(hexylsulfanyl)-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 359.45 |
| Molecular Formula: | C18 H21 N3 O3 S |
| Smiles: | CCCCCCSC1=C(C#N)C(CC(N1)=O)c1cccc(c1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5533 |
| logD: | 4.4959 |
| logSw: | -4.4409 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.569 |
| InChI Key: | WFEOHTSSLGOOKV-OAHLLOKOSA-N |