COc1ccc(N(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C(=O)C2CCCc3c(OCc4ccccc4)cccc32)cn1
SMILES: COc1ccc(N(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C(=O)C2CCCc3c(OCc4ccccc4)cccc32)cn1

Molecular Processing

Molecular formula
C36H33F3N4O3
Molecular weight
626.68
Exact mass
626.2505
XLogP
7.59
TPSA
69.48
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
46
Rings
6
Aromatic rings
5
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
167.65

Supplementary Information

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