SMILES:
CN(C)CCSc1nnc(SCN2C(=O)c3ccccc3S2(=O)=O)s1Molecular Processing
Molecular formula
C14H16N4O3S4
Molecular weight
416.58
Exact mass
416.0105
XLogP
2.09
TPSA
83.47
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
25
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
0.357
Molar refractivity
99.71
Supplementary Information
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