SMILES:
O=C(NC1CCN(Cc2ccncc2)CC1)c1cccc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1Molecular Processing
Molecular formula
C29H32F3N5O2
Molecular weight
539.6
Exact mass
539.2508
XLogP
4.94
TPSA
70.59
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
39
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.414
Molar refractivity
141.55
Supplementary Information
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