2-amino-4-(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-6673 |
| Compound Name: | 2-amino-4-(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 562.61 |
| Molecular Formula: | C30 H25 F3 N4 O2 S |
| Smiles: | COc1ccc(cc1CSc1ccccn1)C1C(C#N)=C(N)N(C2CCCC(C1=2)=O)c1ccccc1C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0042 |
| logD: | 5.0042 |
| logSw: | -4.8531 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.844 |
| InChI Key: | LCMAQUWOPVHYJP-HHHXNRCGSA-N |