2-amino-4-[4-methoxy-3-(phenoxymethyl)phenyl]-7,7-dimethyl-5-oxo-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-[4-methoxy-3-(phenoxymethyl)phenyl]-7,7-dimethyl-5-oxo-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-[4-methoxy-3-(phenoxymethyl)phenyl]-7,7-dimethyl-5-oxo-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-6679 |
| Compound Name: | 2-amino-4-[4-methoxy-3-(phenoxymethyl)phenyl]-7,7-dimethyl-5-oxo-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 506.6 |
| Molecular Formula: | C31 H30 N4 O3 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2cccnc2)c2ccc(c(COc3ccccc3)c2)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0383 |
| logD: | 4.0383 |
| logSw: | -4.2281 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.753 |
| InChI Key: | WAQCNICDDLBRJJ-MUUNZHRXSA-N |