CC(C)(C)OC(=O)c1ccc(NC(=O)C(Cc2ccccn2)n2ccc(-c3cc(Cl)ccc3C(F)(F)F)cc2=O)cc1
SMILES: CC(C)(C)OC(=O)c1ccc(NC(=O)C(Cc2ccccn2)n2ccc(-c3cc(Cl)ccc3C(F)(F)F)cc2=O)cc1

Molecular Processing

Molecular formula
C31H27ClF3N3O4
Molecular weight
598.02
Exact mass
597.1642
XLogP
6.96
TPSA
90.29
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
42
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.226
Molar refractivity
153.37

Supplementary Information

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