2-amino-1-(2,6-difluorophenyl)-4-[2-(ethylsulfanyl)thiophen-3-yl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(2,6-difluorophenyl)-4-[2-(ethylsulfanyl)thiophen-3-yl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(2,6-difluorophenyl)-4-[2-(ethylsulfanyl)thiophen-3-yl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4306-0567 |
| Compound Name: | 2-amino-1-(2,6-difluorophenyl)-4-[2-(ethylsulfanyl)thiophen-3-yl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 471.59 |
| Molecular Formula: | C24 H23 F2 N3 O S2 |
| Smiles: | CCSc1c(ccs1)C1C(C#N)=C(N)N(C2CC(C)(C)CC(C1=2)=O)c1c(cccc1F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1496 |
| logD: | 5.1496 |
| logSw: | -5.0703 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.793 |
| InChI Key: | XAIKLYHUIABGMI-LJQANCHMSA-N |