SMILES:
CC(C)(C)OC(=O)n1c(-c2ccc(OS(=O)(=O)c3ccccc3C#N)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21Molecular Processing
Molecular formula
C34H34N4O6S
Molecular weight
626.73
Exact mass
626.2199
XLogP
5.96
TPSA
130.73
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
45
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.324
Molar refractivity
168.27
Supplementary Information
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