COc1c(Nc2cnc(S(C)(=O)=O)cc2C)ncnc1OC1CCN(C(=O)OC(C)C)CC1
SMILES: COc1c(Nc2cnc(S(C)(=O)=O)cc2C)ncnc1OC1CCN(C(=O)OC(C)C)CC1

Molecular Processing

Molecular formula
C21H29N5O6S
Molecular weight
479.56
Exact mass
479.1839
XLogP
2.72
TPSA
132.84
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
7
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
120.79

Supplementary Information

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