SMILES:
CCc1cc(-c2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)s2)c(C)[nH]c1=OMolecular Processing
Molecular formula
C23H27N3O3S2
Molecular weight
457.62
Exact mass
457.1494
XLogP
3.48
TPSA
73.48
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
124.97
Supplementary Information
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