SMILES:
COc1cc(C(Nc2ccc(C(=N)N)cc2)c2nn(-c3ccsc3C(=O)O)c(=O)[nH]2)c(F)c2c1OCC2Molecular Processing
Molecular formula
C24H21FN6O5S
Molecular weight
524.53
Exact mass
524.1278
XLogP
2.89
TPSA
168.34
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
37
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
134.1
Supplementary Information
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