SMILES:
Cc1ccc(CC2CN(CC#CCN3CCOCC3C(=O)N(C)C)CCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1CMolecular Processing
Molecular formula
C33H38F6N4O3
Molecular weight
652.68
Exact mass
652.2848
XLogP
4.5
TPSA
56.33
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
46
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.515
Molar refractivity
159.98
Supplementary Information
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