SMILES:
Cc1ccc(C(=O)CN2CCC(Oc3ncnc4c3CCN4c3ccc(S(C)(=O)=O)cc3F)CC2)s1Molecular Processing
Molecular formula
C25H27FN4O4S2
Molecular weight
530.65
Exact mass
530.1458
XLogP
3.81
TPSA
92.7
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
135.73
Supplementary Information
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