CNC(=O)OCCC1(c2ccc(F)cc2)CCN(C(C)c2ccc(-c3ccc(F)cc3F)cc2)C(=O)O1
SMILES: CNC(=O)OCCC1(c2ccc(F)cc2)CCN(C(C)c2ccc(-c3ccc(F)cc3F)cc2)C(=O)O1

Molecular Processing

Molecular formula
C28H27F3N2O4
Molecular weight
512.53
Exact mass
512.1923
XLogP
6.32
TPSA
67.87
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
37
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
131.12

Supplementary Information

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