SMILES:
NCCCC1(c2ccccc2)SC(c2cc(F)ccc2F)=NN1c1nc2c(s1)CNCC2Molecular Processing
Molecular formula
C23H23F2N5S2
Molecular weight
471.6
Exact mass
471.1363
XLogP
4.57
TPSA
66.54
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
126.9
Supplementary Information
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