AC1MNNTB
2-amino-4-(1,3-benzodioxol-5-yl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: AG-205/10987001|2-AMINO-4-(1,3-BENZODIOXOL-5-YL)-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE|2-Amino-4-(1,3-benzodioxol-5-YL)-1-(2-chloro-5-(trifluoromethyl)phenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile|2-amino-4-(1,3-benzodioxol-5-yl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile|2-amino-4-(1,3-benzodioxol-5-yl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile|2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-1-(2-chloro-5-(trifluoromethyl)phenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile|648-225-9
| Molecular Formula | C24H17ClF3N3O3 |
|---|---|
| Molecular Weight | 487.09106 g/mol |
| LogP | 5.39228 |
| Topological Polar Surface Area | 88.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 487.09106 |
| Monoisotopic Mass | 487.09106 |
| Heavy Atoms | 34 |
| Complexity | 1326.964 |
Chemical Identifiers
| CAS Number | 339337-77-8 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2C3=C(C=CC(=C3)C(F)(F)F)Cl)N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)C1 |
Product Overview
AC1MNNTB (CAS 339337-77-8), with molecular formula C24H17ClF3N3O3 and molecular weight 487.09106 g/mol. IUPAC: 2-amino-4-(1,3-benzodioxol-5-yl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
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