Name: 7b
SMILES:
Cc1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=N)C23CCC3)cc1Molecular Processing
Molecular formula
C21H17F3N4S
Molecular weight
414.46
Exact mass
414.1126
XLogP
5.4
TPSA
54.12
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
109.2
Supplementary Information
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