Name: title compound
SMILES:
O=C(NCc1ccc(Cl)c(-n2nc(-c3ccc(C#Cc4ccc(Cl)cc4F)cc3F)[nH]c2=O)c1)C1CC1Molecular Processing
Molecular formula
C27H18Cl2F2N4O2
Molecular weight
539.37
Exact mass
538.0775
XLogP
5.24
TPSA
79.78
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
37
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.148
Molar refractivity
136.55
Supplementary Information
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