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Chemical structure of BAY-678 racemate

GC35476

BAY-678 racemate

Also known as 5-[5-acetyl-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]pyridine-2-carbonitrile

BAY-678 racemate is a racemate of BAY-678

ChemicalCAS675103-35-2MW400.35FormulaC20H15F3N4O2
CAS number
675103-35-2
Molecular weight
400.35
Formula
C20H15F3N4O2
Solubility
DMSO： ≥ 150 mg/mL (374·67 mM); Water： ＜ 0·1 mg/mL (insoluble)
InChIKey
PGIVGIFOWOVINL-UHFFFAOYSA-N
Catalogue number
GC35476
Brand
GLPBIO
Computed properties PubChem CID 59218311 · XLogP 2.5 · TPSA 86.1 Ų · H-bond donors 1
XLogP
2.5
TPSA
86.1 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
29

SMILES CC1=C(C(NC(=O)N1C2=CC=CC(=C2)C(F)(F)F)C3=CN=C(C=C3)C#N)C(=O)C

Computed descriptors from PubChem (CID 59218311), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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