SMILES:
CCc1nccc(-c2ccc(C(=O)N3CCN(C4CCOCC4)CC3)c(F)c2)c1C#Cc1ccc(NC)nc1Molecular Processing
Molecular formula
C31H34FN5O2
Molecular weight
527.64
Exact mass
527.2697
XLogP
4.22
TPSA
70.59
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
39
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.387
Molar refractivity
150.09
Supplementary Information
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