이름: title compound
SMILES:
CC(C)C(=O)NCc1ccc(Cl)c(-n2nc(-c3ccc(C#CC(C)(C)C)c(F)c3)[nH]c2=O)c1Molecular Processing
Molecular formula
C25H26ClFN4O2
Molecular weight
468.96
Exact mass
468.1728
XLogP
4.69
TPSA
79.78
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
33
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
127.61
Supplementary Information
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