Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C)C[C@@H]2C)cn1.Cl
SMILES: Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C)C[C@@H]2C)cn1.Cl

Molecular Processing

Molecular formula
C20H23ClF3N3O3S
Molecular weight
477.94
Exact mass
477.1101
XLogP
3.67
TPSA
70.58
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.4
Molar refractivity
111.66

Supplementary Information

Details werden geladen…

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