SMILES:
CC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=S)NC1c1ccc(C#N)cc1Molecular Processing
Molecular formula
C21H16F3N3OS
Molecular weight
415.44
Exact mass
415.0966
XLogP
4.88
TPSA
56.13
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
106.94
Supplementary Information
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