O=C(O)C12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(N3CCOCC3)nc1)C2
SMILES: O=C(O)C12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(N3CCOCC3)nc1)C2

Molecular Processing

Molecular formula
C26H26FN5O5S
Molecular weight
539.59
Exact mass
539.1639
XLogP
2.35
TPSA
117.86
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
38
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.346
Molar refractivity
135.92

Supplementary Information

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