2-amino-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4306-0487 |
| Compound Name: | 2-amino-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 452.55 |
| Molecular Formula: | C22 H20 N4 O3 S2 |
| Smiles: | Cc1cc(C2C(C#N)=C(N)N(C3CCCC(C2=3)=O)c2ccc(cc2)[N+]([O-])=O)c(SC)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2708 |
| logD: | 4.2708 |
| logSw: | -4.5723 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.777 |
| InChI Key: | XEEQUKOYYJJEGQ-LJQANCHMSA-N |