SMILES:
O=C1CCC(N2Cc3cc(CNC(=O)c4ccc(C(F)(F)F)cc4)ccc3C2=O)C(=O)N1Molecular Processing
Molecular formula
C22H18F3N3O4
Molecular weight
445.4
Exact mass
445.1249
XLogP
2.4
TPSA
95.58
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
105.1
Supplementary Information
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