CC(C)C(C#N)(CCCN1CCN(CCOc2ccc(C(F)(F)F)cn2)CC1)c1ccc(C#N)s1
SMILES: CC(C)C(C#N)(CCCN1CCN(CCOc2ccc(C(F)(F)F)cn2)CC1)c1ccc(C#N)s1

Molecular Processing

Molecular formula
C25H30F3N5OS
Molecular weight
505.61
Exact mass
505.2123
XLogP
4.93
TPSA
76.18
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
35
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.56
Molar refractivity
128.01

Supplementary Information

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