COCCN(CCOC)C1=NC(=O)C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)S1
SMILES: COCCN(CCOC)C1=NC(=O)C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)S1

Molecular Processing

Molecular formula
C25H24ClF3N4O3S
Molecular weight
553.01
Exact mass
552.121
XLogP
5.32
TPSA
68.95
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
37
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
0.32
Molar refractivity
138.62

Supplementary Information

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