الاسم: title compound
SMILES:
O=C(NCc1cc(-c2nn(-c3ccc(C(F)(F)F)cc3)c(=O)[nH]2)c(Cl)cc1F)[C@H]1CCCO1Molecular Processing
Molecular formula
C21H17ClF4N4O3
Molecular weight
484.84
Exact mass
484.0925
XLogP
3.83
TPSA
89.01
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
110.41
Supplementary Information
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