CC(C)(C)OC(=O)N1CCC(Nc2c([N+](=O)[O-])cnc3c2ccn3S(=O)(=O)c2ccccc2)C(F)C1
SMILES: CC(C)(C)OC(=O)N1CCC(Nc2c([N+](=O)[O-])cnc3c2ccn3S(=O)(=O)c2ccccc2)C(F)C1

Molecular Processing

Molecular formula
C23H26FN5O6S
Molecular weight
519.56
Exact mass
519.1588
XLogP
3.94
TPSA
136.67
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
130.14

Supplementary Information

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