4-(3-bromophenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
4-(3-bromophenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
4-(3-bromophenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 4552-4274 |
| Compound Name: | 4-(3-bromophenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 323.21 |
| Molecular Formula: | C13 H11 Br N2 O S |
| Smiles: | CSC1=C(C#N)C(CC(N1)=O)c1cccc(c1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9019 |
| logD: | 2.7572 |
| logSw: | -3.3495 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.187 |
| InChI Key: | SUAKWCHQNYJWGV-JTQLQIEISA-N |