2-amino-4-[3-(ethylsulfanyl)thiophen-2-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-[3-(ethylsulfanyl)thiophen-2-yl]-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-[3-(ethylsulfanyl)thiophen-2-yl]-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4306-0262 |
| Compound Name: | 2-amino-4-[3-(ethylsulfanyl)thiophen-2-yl]-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 480.61 |
| Molecular Formula: | C24 H24 N4 O3 S2 |
| Smiles: | CCSc1ccsc1C1C(C#N)=C(N)N(C2CC(C)(C)CC(C1=2)=O)c1cccc(c1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.39 |
| logD: | 4.39 |
| logSw: | -4.5697 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.777 |
| InChI Key: | DGJKBFULHFPUQG-HXUWFJFHSA-N |