2-amino-4-[2-(cyanomethoxy)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-[2-(cyanomethoxy)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-[2-(cyanomethoxy)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | Y510-4841 |
| Compound Name: | 2-amino-4-[2-(cyanomethoxy)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 348.4 |
| Molecular Formula: | C20 H20 N4 O2 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2)c2ccccc2OCC#N)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9544 |
| logD: | 0.9787 |
| logSw: | -2.5077 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.646 |
| InChI Key: | QPUWMFGSCGJQQP-QGZVFWFLSA-N |