CN(C1=NC(=O)C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)S1)C1CNC(CO)C1
SMILES: CN(C1=NC(=O)C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)S1)C1CNC(CO)C1

Molecular Processing

Molecular formula
C25H23ClF3N5O2S
Molecular weight
550.01
Exact mass
549.1213
XLogP
4.38
TPSA
82.75
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
37
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
138.34

Supplementary Information

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