C[C@H]1OC[C@]2(c3cc(-c4cnc(-c5cnccn5)[nH]4)ccc3F)N=C(N)SC[C@H]12
SMILES: C[C@H]1OC[C@]2(c3cc(-c4cnc(-c5cnccn5)[nH]4)ccc3F)N=C(N)SC[C@H]12

Molecular Processing

Molecular formula
C20H19FN6OS
Molecular weight
410.48
Exact mass
410.1325
XLogP
2.96
TPSA
102.07
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
29
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
109.67

Supplementary Information

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