SMILES:
Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(NC(=S)CCc3csc(N)n3)[C@H]2SC1Molecular Processing
Molecular formula
C16H18N8O3S4
Molecular weight
498.64
Exact mass
498.0385
XLogP
0.51
TPSA
152.15
H-bond donors
3
H-bond acceptors
11
Rotatable bonds
8
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
121.64
Supplementary Information
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