SMILES:
COC(=O)C1CC(S(=O)(=O)c2ccccc2C(F)(F)F)CN1c1ncccn1Molecular Processing
Molecular formula
C17H16F3N3O4S
Molecular weight
415.39
Exact mass
415.0814
XLogP
2.09
TPSA
89.46
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
92.22
Supplementary Information
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Involved in 2 reactions→