Name: title compound
SMILES:
CC1(C)Cc2c(c(C(=O)NCc3ccccc3C(F)(F)F)cc3nc(Nc4c(Cl)cncc4Cl)[nH]c23)O1Molecular Processing
Molecular formula
C25H20Cl2F3N5O2
Molecular weight
550.37
Exact mass
549.0946
XLogP
6.67
TPSA
91.93
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
37
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
134.66
Supplementary Information
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