CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(Cc3cccnc3C#N)C4)n[nH]c2c1
SMILES: CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(Cc3cccnc3C#N)C4)n[nH]c2c1

Molecular Processing

Molecular formula
C28H24FN7O
Molecular weight
493.55
Exact mass
493.2026
XLogP
4.85
TPSA
117.51
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
37
Rings
6
Aromatic rings
5
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
136.88

Supplementary Information

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