CCOC(=O)c1cc(F)cc(C(C2CN(C(c3ccc(C#N)cc3)c3cccc(C#N)c3)C2)C(C)(C)F)c1
SMILES: CCOC(=O)c1cc(F)cc(C(C2CN(C(c3ccc(C#N)cc3)c3cccc(C#N)c3)C2)C(C)(C)F)c1

Molecular Processing

Molecular formula
C31H29F2N3O2
Molecular weight
513.59
Exact mass
513.2228
XLogP
6.3
TPSA
77.12
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.323
Molar refractivity
139.5

Supplementary Information

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