SMILES:
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(c2)N(C(C)C)C(=O)CCC3(C)C)ncc1ClMolecular Processing
Molecular formula
C27H30ClFN6O2
Molecular weight
525.03
Exact mass
524.2103
XLogP
5.93
TPSA
99.25
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
37
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
144.72
Supplementary Information
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