2-amino-7,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-7,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-7,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8020-4554 |
| Compound Name: | 2-amino-7,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 390.51 |
| Molecular Formula: | C22 H22 N4 O S |
| Smiles: | Cc1ccc(C2C(C#N)=C(N)N(C3CC(C)(C)CC(C2=3)=O)c2cccnc2)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1046 |
| logD: | 3.1046 |
| logSw: | -3.0283 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.913 |
| InChI Key: | BHVFBPLHNPDPLI-IBGZPJMESA-N |