CCOC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(CC(=O)OC)C1c1ccc(C#N)cc1
SMILES: CCOC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(CC(=O)OC)C1c1ccc(C#N)cc1

Molecular Processing

Molecular formula
C25H22F3N3O5
Molecular weight
501.46
Exact mass
501.1512
XLogP
4.57
TPSA
99.94
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
36
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
121.27

Supplementary Information

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