SMILES:
CC1(C)C=C(CSCCc2ccccc2)c2cc(-c3ccccc3C(F)(F)F)ccc2N1Molecular Processing
Molecular formula
C27H26F3NS
Molecular weight
453.57
Exact mass
453.1738
XLogP
7.94
TPSA
12.03
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
130.03
Supplementary Information
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