2-{2-amino-3-cyano-5-oxo-4-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-1(4H)-yl}-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-{2-amino-3-cyano-5-oxo-4-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-1(4H)-yl}-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridine-3-carbonitrile
2-{2-amino-3-cyano-5-oxo-4-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-1(4H)-yl}-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-5009 |
| Compound Name: | 2-{2-amino-3-cyano-5-oxo-4-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-1(4H)-yl}-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridine-3-carbonitrile |
| Molecular Weight: | 521.56 |
| Molecular Formula: | C27 H22 F3 N5 O S |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)N2c2c(C#N)c3C4CCN(CC4)c3s2)c2ccc(cc2)C(F)(F)F)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.229 |
| logD: | 4.229 |
| logSw: | -4.5623 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.661 |
| InChI Key: | RVWBUQXHNXEMLO-NRFANRHFSA-N |