2-{2-amino-3-cyano-4-[4-(methylsulfanyl)phenyl]-5-oxo-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-4-[4-(methylsulfanyl)phenyl]-5-oxo-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-4-[4-(methylsulfanyl)phenyl]-5-oxo-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: | 8017-8699 |
| Compound Name: | 2-{2-amino-3-cyano-4-[4-(methylsulfanyl)phenyl]-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl}-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridine-3-carbonitrile |
| Molecular Weight: | 499.66 |
| Molecular Formula: | C27 H25 N5 O S2 |
| Smiles: | CSc1ccc(cc1)C1C(C#N)=C(N)N(C2CCCC(C1=2)=O)c1c(C#N)c2C3CCN(CC3)c2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0756 |
| logD: | 4.0756 |
| logSw: | -4.4279 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.661 |
| InChI Key: | ZOYWLLKIWRHEED-QFIPXVFZSA-N |