Название: title compound
SMILES:
NCc1ccc(Cl)c(-c2nn(-c3ccc(C#CC4CC4)cc3F)c(=O)[nH]2)c1Molecular Processing
Molecular formula
C20H16ClFN4O
Molecular weight
382.83
Exact mass
382.0997
XLogP
3.24
TPSA
76.7
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
102.08
Supplementary Information
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