Name: title compound
SMILES:
CS(=O)(=O)c1ccc(N2CCSCC2)c(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1Molecular Processing
Molecular formula
C23H26F3N3O3S2
Molecular weight
513.61
Exact mass
513.1368
XLogP
3.62
TPSA
60.93
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
34
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
128.65
Supplementary Information
Details werden geladen…
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