SMILES:
CCOC(=O)N1CCC(N2CCC2C(=O)N2C[C@H](Sc3ccccc3OC(F)(F)F)C[C@H]2C(=O)NC2(C#N)CC2)CC1Molecular Processing
Molecular formula
C28H34F3N5O5S
Molecular weight
609.67
Exact mass
609.2233
XLogP
3.51
TPSA
115.21
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
42
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.643
Molar refractivity
145.34
Supplementary Information
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