SMILES:
CC(=O)NCC1CN(c2ccc(N3CC4CN(CC#N)CC4C3)c(F)c2)C(=O)O1Molecular Processing
Molecular formula
C20H24FN5O3
Molecular weight
401.44
Exact mass
401.1863
XLogP
1.18
TPSA
88.91
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
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
0.55
Molar refractivity
103.94
Supplementary Information
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