2-amino-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4306-0260 |
| Compound Name: | 2-amino-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 508.66 |
| Molecular Formula: | C26 H28 N4 O3 S2 |
| Smiles: | CCc1cc(C2C(C#N)=C(N)N(C3CC(C)(C)CC(C2=3)=O)c2cccc(c2)[N+]([O-])=O)c(SCC)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6402 |
| logD: | 5.6402 |
| logSw: | -5.4089 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.777 |
| InChI Key: | VHZHLPMHFUPEPX-JOCHJYFZSA-N |