SMILES:
O=C1NC(=S)SC1=Cc1cnn2c(NC3CC3)cc(-c3ccnc(F)c3)nc12Molecular Processing
Molecular formula
C18H13FN6OS2
Molecular weight
412.48
Exact mass
412.0576
XLogP
2.99
TPSA
84.21
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
28
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
109.13
Supplementary Information
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