SMILES:
Cc1cc(COC(=O)C23Cc4cnn(-c5ccc(F)cc5)c4C=C2CCN(S(=O)(=O)c2ccc(N4CCOCC4)nc2)C3)no1Molecular Processing
Molecular formula
C31H31FN6O6S
Molecular weight
634.69
Exact mass
634.201
XLogP
3.3
TPSA
132.89
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
7
Heavy atoms
45
Rings
7
Aromatic rings
4
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.355
Molar refractivity
159.32
Supplementary Information
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