2-amino-4-[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-[2-(ethylsulfanyl)thiophen-3-yl]-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-[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: | 4306-0327 |
| Compound Name: | 2-amino-4-[2-(ethylsulfanyl)thiophen-3-yl]-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 466.58 |
| Molecular Formula: | C23 H22 N4 O3 S2 |
| Smiles: | CCSc1c(ccs1)C1C(C#N)=C(N)N(C2CCCC(C1=2)=O)c1cc(ccc1C)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7168 |
| logD: | 4.7168 |
| logSw: | -4.7616 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.476 |
| InChI Key: | NCMGZVQDGYWTMA-HXUWFJFHSA-N |