CC(n1ccn(-c2ccc(-n3cnnn3)cc2)c1=O)C(O)(COS(C)(=O)=O)c1ccccc1F
SMILES: CC(n1ccn(-c2ccc(-n3cnnn3)cc2)c1=O)C(O)(COS(C)(=O)=O)c1ccccc1F

Molecular Processing

Molecular formula
C21H21FN6O5S
Molecular weight
488.5
Exact mass
488.1278
XLogP
1.18
TPSA
134.13
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
34
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
118.54

Supplementary Information

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