SMILES:
COc1ccc(C2COCCO2)c2sc(NC(=O)c3ccnc(N4CCC4)c3)nc12Molecular Processing
Molecular formula
C21H22N4O4S
Molecular weight
426.5
Exact mass
426.1362
XLogP
3.25
TPSA
85.81
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
114.7
Supplementary Information
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