2-amino-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-1-(2-methyl-5-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]-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4306-0326 |
| Compound Name: | 2-amino-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 494.63 |
| Molecular Formula: | C25 H26 N4 O3 S2 |
| Smiles: | CCc1cc(C2C(C#N)=C(N)N(C3CCCC(C2=3)=O)c2cc(ccc2C)[N+]([O-])=O)c(SCC)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7114 |
| logD: | 5.7114 |
| logSw: | -5.3335 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.476 |
| InChI Key: | XXRGEYRWTXFUQM-JOCHJYFZSA-N |