2-[[(2S,4S)-4-[[2-[(2,4-Difluorophenoxy)methyl]-4-pyrimidinyl]oxy]-2-methyl-1...
C30H31F2N5O5
2810808-95-6 Copyright (C) 2026 ACS
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M  END
> <cas.rn>
2810808-95-6

> <ca.index.name>
1H-Benzimidazole-6-carboxylic acid, 2-[[(2S,4S)-4-[[2-[(2,4-difluorophenoxy)methyl]-4-pyrimidinyl]oxy]-2-methyl-1-piperidinyl]methyl]-1-[(2S)-2-oxetanylmethyl]-

> <molecular.formula>
C30H31F2N5O5

> <smiles.canonical>
O=C(O)C=1C=CC=2N=C(N(C2C1)CC3OCC3)CN4CCC(OC5=NC(=NC=C5)COC6=CC=C(F)C=C6F)CC4C

> <smiles.isomeric>
C(N1C=2C(N=C1CN3[C@@H](C)C[C@@H](OC4=NC(COC5=C(F)C=C(F)C=C5)=NC=C4)CC3)=CC=C(C(O)=O)C2)[C@@H]6CCO6

> <molecular.weight>
579.60

> <boiling.point.predicted>
770.873±60.00 °C    Press: 760.00 Torr

> <density.predicted>
1.456±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
3.976±0.30    Most Acidic Temp: 25 °C

$$$$
