SMILES:
CCOCc1nc2c(N)nc3c(c2n1CC(C)(C)OCCS(C)(=O)=O)CCCC3Molecular Processing
Molecular formula
C20H32N4O4S
Molecular weight
424.57
Exact mass
424.2144
XLogP
2.27
TPSA
109.33
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.7
Molar refractivity
113.65
Supplementary Information
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