SMILES:
Cc1ccc2nn(CC(C)(C#N)NC(=S)c3ccc(C(F)(F)F)cc3)nc2c1Molecular Processing
Molecular formula
C19H16F3N5S
Molecular weight
403.43
Exact mass
403.1079
XLogP
4.01
TPSA
66.53
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
102.56
Supplementary Information
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