SMILES:
Nc1nc2c(sc(=O)n2C2OC(COC(=O)c3ccccc3)C(O)(C(=O)c3ccccc3)C2(O)C(=O)c2ccccc2)c(=O)[nH]1Molecular Processing
Molecular formula
C31H24N4O9S
Molecular weight
628.62
Exact mass
628.1264
XLogP
1.71
TPSA
203.9
H-bond donors
4
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
160.99
Supplementary Information
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