COc1c2cc(Cl)cc(Cl)c2nn1CC(C)(C#N)NC(=S)c1ccc(C(F)(F)F)cc1
SMILES: COc1c2cc(Cl)cc(Cl)c2nn1CC(C)(C#N)NC(=S)c1ccc(C(F)(F)F)cc1

Molecular Processing

Molecular formula
C20H15Cl2F3N4OS
Molecular weight
487.33
Exact mass
486.0296
XLogP
5.62
TPSA
62.87
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
116.6

Supplementary Information

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