SMILES:
Cc1ccc(C(=O)Nc2nccs2)cc1-c1nc(NCCNC(C)C)nc2c1ccc(=O)n2-c1c(F)cccc1FMolecular Processing
Molecular formula
C29H27F2N7O2S
Molecular weight
575.65
Exact mass
575.1915
XLogP
5.15
TPSA
113.83
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
41
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.207
Molar refractivity
156.92
Supplementary Information
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