SMILES:
Cc1ccc(S(=O)(=O)N2CCSCC2C(=O)OCCCc2cccnc2)cc1Molecular Processing
Molecular formula
C20H24N2O4S2
Molecular weight
420.56
Exact mass
420.1177
XLogP
2.67
TPSA
76.57
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
109.7
Supplementary Information
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