SMILES:
COc1ncc(-c2cc(-c3nnc(CN4CCN5CCC[C@H]5C4)o3)c3cn[nH]c3c2)cc1NS(=O)(=O)c1ccc(F)cc1FMolecular Processing
Molecular formula
C29H28F2N8O4S
Molecular weight
622.66
Exact mass
622.1922
XLogP
4.04
TPSA
142.37
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
44
Rings
7
Aromatic rings
5
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.31
Molar refractivity
156.21
Supplementary Information
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