2-(ethylsulfanyl)-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
2-(ethylsulfanyl)-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
2-(ethylsulfanyl)-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 3331-3964 |
| Compound Name: | 2-(ethylsulfanyl)-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 303.34 |
| Molecular Formula: | C14 H13 N3 O3 S |
| Smiles: | CCSC1=C(C#N)C(CC(N1)=O)c1cccc(c1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3734 |
| logD: | 2.316 |
| logSw: | -2.9428 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.569 |
| InChI Key: | LSTOEXRFQJJFRK-LLVKDONJSA-N |