Cc1cc(-c2cccc(C(=O)CC(=O)Nc3cc(C(F)(F)F)c(Cl)cc3NC(=O)OC(C)(C)C)c2)ccn1
SMILES: Cc1cc(-c2cccc(C(=O)CC(=O)Nc3cc(C(F)(F)F)c(Cl)cc3NC(=O)OC(C)(C)C)c2)ccn1

Molecular Processing

Molecular formula
C27H25ClF3N3O4
Molecular weight
547.96
Exact mass
547.1486
XLogP
7.29
TPSA
97.39
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
38
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
138.3

Supplementary Information

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