(αS)-N-[4-(Aminocarbonyl)-3-fluorophenyl]-4-[5-chloro-2-[4-(trifluoromethyl)-...
C26H21ClF4N6O4
2064121-65-7 Copyright (C) 2025 ACS
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M  END
> <cas.rn>
2064121-65-7

> <ca.index.name>
1(2H)-Pyridineacetamide, N-[4-(aminocarbonyl)-3-fluorophenyl]-4-[5-chloro-2-[4-(trifluoromethyl)-1H-1,2,3-triazol-1-yl]phenyl]-α-ethyl-5-methoxy-2-oxo-, (αS)-

> <molecular.formula>
C26H21ClF4N6O4

> <smiles.canonical>
O=C(N)C1=CC=C(C=C1F)NC(=O)C(N2C=C(OC)C(=CC2=O)C=3C=C(Cl)C=CC3N4N=NC(=C4)C(F)(F)F)CC

> <smiles.isomeric>
O(C)C=1C(C2=C(C=CC(Cl)=C2)N3C=C(C(F)(F)F)N=N3)=CC(=O)N([C@H](C(NC4=CC(F)=C(C(N)=O)C=C4)=O)CC)C1

> <molecular.weight>
592.93

> <density.predicted>
1.514±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
12.439±0.70    Most Acidic Temp: 25 °C

$$$$
