COc1ccc(-n2nc(-c3c(F)cccc3Cl)[nH]c2=O)cc1C(=O)NC1(c2ccccc2C(F)(F)F)CC1
名称: title compound
SMILES: COc1ccc(-n2nc(-c3c(F)cccc3Cl)[nH]c2=O)cc1C(=O)NC1(c2ccccc2C(F)(F)F)CC1

Molecular Processing

Molecular formula
C26H19ClF4N4O3
Molecular weight
546.91
Exact mass
546.1082
XLogP
5.47
TPSA
89.01
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
38
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.192
Molar refractivity
130.96

Supplementary Information

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