AC1N3XMS
2-amino-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: AK-968/40733963|2-amino-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile|2-amino-4-{4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile|2-AMINO-4-{4-METHOXY-3-[(2-PYRIDYLSULFANYL)METHYL]PHENYL}-5-OXO-1-[2-(TRIFLUOROMETHYL)PHENYL]-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE|2-amino-4-{4-methoxy-3-[(pyridin-2-ylsulfanyl)methyl]phenyl}-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C30H25F3N4O2S |
|---|---|
| Molecular Weight | 562.16504 g/mol |
| LogP | 6.70608 |
| Topological Polar Surface Area | 92.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 562.16504 |
| Monoisotopic Mass | 562.16504 |
| Heavy Atoms | 40 |
| Complexity | 1561.1089 |
Chemical Identifiers
| CAS Number | 515151-68-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC=C4C(F)(F)F)N)C#N)CSC5=CC=CC=N5 |
Product Overview
AC1N3XMS (CAS 515151-68-5), with molecular formula C30H25F3N4O2S and molecular weight 562.16504 g/mol. IUPAC: 2-amino-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
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