Nc1nc2c(sc(=O)n2C2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)c(=O)[nH]1
SMILES: Nc1nc2c(sc(=O)n2C2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)c(=O)[nH]1

Molecular Processing

Molecular formula
C31H24N4O9S
Molecular weight
628.62
Exact mass
628.1264
XLogP
2.93
TPSA
181.9
H-bond donors
2
H-bond acceptors
12
Rotatable bonds
8
Heavy atoms
45
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.161
Molar refractivity
160.84

Supplementary Information

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