CCOC(=O)N=S(C)(=O)c1ccc(COc2cc3ncnc(Nc4nncs4)c3cc2OC)cc1
SMILES: CCOC(=O)N=S(C)(=O)c1ccc(COc2cc3ncnc(Nc4nncs4)c3cc2OC)cc1

Molecular Processing

Molecular formula
C22H22N6O5S2
Molecular weight
514.59
Exact mass
514.1093
XLogP
4.43
TPSA
137.78
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
8
Heavy atoms
35
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
131.84

Supplementary Information

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