SMILES:
CCC(=O)NCC1CN(c2ccc(N3CCC(=CC#N)CC3)c(F)c2)C(=O)O1Molecular Processing
Molecular formula
C20H23FN4O3
Molecular weight
386.43
Exact mass
386.1754
XLogP
2.73
TPSA
85.67
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
102.46
Supplementary Information
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