Ethyl 4-[5-[(2-ethoxy-5-pyrimidinyl)methyl]-2-[[(4-fluorophenyl)methyl]thio]-...
C27H25FN4O4S
306974-70-9 Copyright (C) 2025 ACS
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M  END
> <cas.rn>
306974-70-9

> <ca.index.name>
Benzoic acid, 4-[5-[(2-ethoxy-5-pyrimidinyl)methyl]-2-[[(4-fluorophenyl)methyl]thio]-4-oxo-1(4H)-pyrimidinyl]-, ethyl ester

> <molecular.formula>
C27H25FN4O4S

> <smiles.canonical>
O=C1N=C(SCC2=CC=C(F)C=C2)N(C=C1CC3=CN=C(N=C3)OCC)C4=CC=C(C=C4)C(=O)OCC

> <molecular.weight>
520.58

> <melting.point.experimental>
208-210 °C

> <boiling.point.predicted>
690.233±65.00 °C    Press: 760.00 Torr

> <density.predicted>
1.299±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
1.200±0.22    Most Basic Temp: 25 °C

$$$$
