CN(C1=NC(=O)C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)S1)C1CCN(CC(N)=O)C1
SMILES: CN(C1=NC(=O)C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)S1)C1CCN(CC(N)=O)C1

Molecular Processing

Molecular formula
C26H24ClF3N6O2S
Molecular weight
577.03
Exact mass
576.1322
XLogP
4.22
TPSA
96.82
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
39
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
145.1

Supplementary Information

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