SMILES:
CCN(CC)CCSc1nnc(SCN2C(=O)c3ccccc3S2(=O)=O)s1Molecular Processing
Molecular formula
C16H20N4O3S4
Molecular weight
444.63
Exact mass
444.0418
XLogP
2.87
TPSA
83.47
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
108.94
Supplementary Information
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