SMILES:
O=C(O)CC(NC(=O)CNC(=O)c1csc(NC(=O)NCc2ccccn2)n1)C(=O)NCc1ccccn1Molecular Processing
Molecular formula
C23H24N8O6S
Molecular weight
540.56
Exact mass
540.154
XLogP
0.26
TPSA
204.4
H-bond donors
6
H-bond acceptors
9
Rotatable bonds
12
Heavy atoms
38
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
134.81
Supplementary Information
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