CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2F)c(=O)n(C2CCC(OC(CCOS(=O)(=O)c3ccc(C)cc3)C(=O)OCC)CC2)c2ncnn12
SMILES: CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2F)c(=O)n(C2CCC(OC(CCOS(=O)(=O)c3ccc(C)cc3)C(=O)OCC)CC2)c2ncnn12

Molecular Processing

Molecular formula
C41H44FN5O7S
Molecular weight
769.9
Exact mass
769.2945
XLogP
6.65
TPSA
154.88
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
15
Heavy atoms
55
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.39
Molar refractivity
202.33

Supplementary Information

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