7,7-dimethyl-2-(methylsulfanyl)-4-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
7,7-dimethyl-2-(methylsulfanyl)-4-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
7,7-dimethyl-2-(methylsulfanyl)-4-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 2188-1010 |
| Compound Name: | 7,7-dimethyl-2-(methylsulfanyl)-4-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 369.44 |
| Molecular Formula: | C19 H19 N3 O3 S |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N2)SC)c2ccccc2[N+]([O-])=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5902 |
| logD: | -0.0014 |
| logSw: | -3.931 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.75 |
| InChI Key: | CMLSVZFYOHCKBT-INIZCTEOSA-N |