SMILES:
Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(C)COc1ccc2c(CC(=O)O)csc2c1Molecular Processing
Molecular formula
C24H20F3NO3S2
Molecular weight
491.56
Exact mass
491.0837
XLogP
7.16
TPSA
59.42
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
33
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
124.36
Supplementary Information
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