Cn1ncc(Cl)c1-c1sc(C(=O)NC(Cc2ccccc2C(F)(F)F)CN2C(=O)c3ccccc3C2=O)cc1Br
SMILES: Cn1ncc(Cl)c1-c1sc(C(=O)NC(Cc2ccccc2C(F)(F)F)CN2C(=O)c3ccccc3C2=O)cc1Br

Molecular Processing

Molecular formula
C27H19BrClF3N4O3S
Molecular weight
651.89
Exact mass
650.0002
XLogP
6.22
TPSA
84.3
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
40
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.185
Molar refractivity
147.44

Supplementary Information

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