الاسم: title compound
SMILES:
COC(=O)C12CCc3ccccc3C1=NN(C(=O)Nc1ccc(C(F)(F)F)cc1)C2Molecular Processing
Molecular formula
C21H18F3N3O3
Molecular weight
417.39
Exact mass
417.13
XLogP
4.06
TPSA
71
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
102.92
Supplementary Information
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