SMILES:
CCCCCc1cnc(N2CCC(c3ccc(COc4ccc(C#N)c(F)c4)nc3)CC2)nc1Molecular Processing
Molecular formula
C27H30FN5O
Molecular weight
459.57
Exact mass
459.2434
XLogP
5.58
TPSA
74.93
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.407
Molar refractivity
129.13
Supplementary Information
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