COCCOc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(C(C)(CF)CF)on4)c3)c2cc1OC
SMILES: COCCOc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(C(C)(CF)CF)on4)c3)c2cc1OC

Molecular Processing

Molecular formula
C26H27F2N5O5S
Molecular weight
559.6
Exact mass
559.1701
XLogP
5.64
TPSA
120.63
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
12
Heavy atoms
39
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
142.47

Supplementary Information

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