SMILES:
CCOC(=O)CCc1cc2cc(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cc(F)c2[nH]1Molecular Processing
Molecular formula
C25H23FN4O4
Molecular weight
462.48
Exact mass
462.1703
XLogP
5.18
TPSA
114.03
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
34
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
122.42
Supplementary Information
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