SMILES:
CC(=O)NCC1CN(c2ccc(N3CC4CN(CCO)CC4C3)c(F)c2)C(=O)O1Molecular Processing
Molecular formula
C20H27FN4O4
Molecular weight
406.46
Exact mass
406.2016
XLogP
0.65
TPSA
85.35
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
29
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
105.42
Supplementary Information
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