C=CCC(OC1CCC(n2c(=O)c(Cc3ccc(-c4ccccc4C#N)cc3F)c(CCC)n3ncnc23)CC1)C(=O)OCC
SMILES: C=CCC(OC1CCC(n2c(=O)c(Cc3ccc(-c4ccccc4C#N)cc3F)c(CCC)n3ncnc23)CC1)C(=O)OCC

Molecular Processing

Molecular formula
C35H38FN5O4
Molecular weight
611.72
Exact mass
611.2908
XLogP
6.12
TPSA
111.51
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
45
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
168.21

Supplementary Information

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