2-amino-1-(dimethylamino)-7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(dimethylamino)-7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(dimethylamino)-7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4404-0203 |
| Compound Name: | 2-amino-1-(dimethylamino)-7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 382.53 |
| Molecular Formula: | C21 H26 N4 O S |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2N(C)C)c2ccc(cc2)SC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7859 |
| logD: | 2.7859 |
| logSw: | -3.1894 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.912 |
| InChI Key: | GYKAPJCQRHWSHD-GOSISDBHSA-N |