SMILES:
CNC(=O)c1cc(=O)n(CCN2CCC(NCc3ccc(C)c(F)c3)CC2)c2cc(OC)ccc12.ClMolecular Processing
Molecular formula
C27H34ClFN4O3
Molecular weight
517.05
Exact mass
516.2303
XLogP
3.49
TPSA
75.6
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.407
Molar refractivity
142.84
Supplementary Information
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