SMILES:
Fc1cccc(F)c1C1CC(c2csc(N3CC4CNCC4C3)n2)=NO1Molecular Processing
Molecular formula
C18H18F2N4OS
Molecular weight
376.43
Exact mass
376.1169
XLogP
2.94
TPSA
49.75
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
26
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
95.51
Supplementary Information
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Involved in 1 reactions→