O=C(NC1(c2ccccc2C(F)(F)F)CC1)c1ccc(-n2nc(-c3c(F)cccc3Cl)[nH]c2=O)cc1
名称: title compound
SMILES: O=C(NC1(c2ccccc2C(F)(F)F)CC1)c1ccc(-n2nc(-c3c(F)cccc3Cl)[nH]c2=O)cc1

Molecular Processing

Molecular formula
C25H17ClF4N4O2
Molecular weight
516.88
Exact mass
516.0976
XLogP
5.46
TPSA
79.78
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
36
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.16
Molar refractivity
124.41

Supplementary Information

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