SMILES:
COc1ccc(C2COCCO2)c2sc(NC(=O)c3ccnc(OCCN4CCOCC4)c3)nc12Molecular Processing
Molecular formula
C24H28N4O6S
Molecular weight
500.58
Exact mass
500.173
XLogP
2.75
TPSA
104.27
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
130.63
Supplementary Information
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