CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(NS(=O)(=O)C4CC4)ccc3N2)c(O)c2cccn21
SMILES: CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(NS(=O)(=O)C4CC4)ccc3N2)c(O)c2cccn21

Molecular Processing

Molecular formula
C22H25N5O6S2
Molecular weight
519.61
Exact mass
519.1246
XLogP
2.32
TPSA
151.34
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
132.13

Supplementary Information

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