SMILES:
CN(CC(=O)O)C1=NC(=O)C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)S1Molecular Processing
Molecular formula
C22H16ClF3N4O3S
Molecular weight
508.91
Exact mass
508.0584
XLogP
4.74
TPSA
87.79
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
123.56
Supplementary Information
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