SMILES:
Cc1c2cc(-n3ccc(OCc4csc(C(F)(F)F)c4)cc3=O)ccc2nn1C1CC1Molecular Processing
Molecular formula
C22H18F3N3O2S
Molecular weight
445.47
Exact mass
445.1072
XLogP
5.49
TPSA
49.05
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
31
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
111.99
Supplementary Information
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