CC(C)CN(CC1CN(S(=O)(=O)c2cccs2)CCN1c1ccc(C(C)(O)C(F)(F)F)cc1)S(C)(=O)=O
SMILES: CC(C)CN(CC1CN(S(=O)(=O)c2cccs2)CCN1c1ccc(C(C)(O)C(F)(F)F)cc1)S(C)(=O)=O

Molecular Processing

Molecular formula
C23H32F3N3O5S3
Molecular weight
583.72
Exact mass
583.1456
XLogP
3.32
TPSA
98.23
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
37
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.565
Molar refractivity
137.53

Supplementary Information

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