COC1CC2COCC(C1)N2CC1CN(S(=O)(=O)c2cccs2)CCN1c1ccc(C(C)(O)C(F)(F)F)cc1
SMILES: COC1CC2COCC(C1)N2CC1CN(S(=O)(=O)c2cccs2)CCN1c1ccc(C(C)(O)C(F)(F)F)cc1

Molecular Processing

Molecular formula
C26H34F3N3O5S2
Molecular weight
589.7
Exact mass
589.1892
XLogP
3.28
TPSA
82.55
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
39
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
141.41

Supplementary Information

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