SMILES:
COc1c2cc(Cl)ccc2nn1CC(C)(C#N)NC(=S)c1ccc(C(F)(F)F)cc1Molecular Processing
Molecular formula
C20H16ClF3N4OS
Molecular weight
452.89
Exact mass
452.0685
XLogP
4.96
TPSA
62.87
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
111.59
Supplementary Information
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