N′-[2-Cyano-4-fluoro-3-[[3-[(3R)-8-[2-[1-[5-fluoro-1-methyl-3-(tetrahydro-2,4...
C45H49F2N11O9S
2882165-79-7 Copyright (C) 2025 ACS
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M  END
> <cas.rn>
2882165-79-7

> <ca.index.name>
Sulfamide, N′-[2-cyano-4-fluoro-3-[[3-[(3R)-8-[2-[1-[5-fluoro-1-methyl-3-(tetrahydro-2,4-dioxo-1(2H)-pyrimidinyl)-1H-indazol-6-yl]-4-hydroxy-4-piperidinyl]acetyl]-1-oxa-8-azaspiro[4.5]dec-3-yl]-3,4-dihydro-4-oxo-6-quinazolinyl]oxy]phenyl]-N-ethyl-N-methyl-

> <molecular.formula>
C45H49F2N11O9S

> <smiles.canonical>
N#CC1=C(OC=2C=CC=3N=CN(C(=O)C3C2)C4COC5(CCN(C(=O)CC6(O)CCN(C7=CC8=C(C=C7F)C(=NN8C)N9C(=O)NC(=O)CC9)CC6)CC5)C4)C(F)=CC=C1NS(=O)(=O)N(C)CC

> <smiles.isomeric>
CN1C=2C(C(=N1)N3C(=O)NC(=O)CC3)=CC(F)=C(C2)N4CCC(CC(=O)N5CCC6(CC5)C[C@H](CO6)N7C(=O)C=8C(N=C7)=CC=C(OC9=C(C#N)C(NS(N(CC)C)(=O)=O)=CC=C9F)C8)(O)CC4

> <molecular.weight>
958.00

> <density.predicted>
1.568±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
6.214±0.50    Most Acidic Temp: 25 °C

$$$$
