CC(O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2CN(CC2CC2)S(C)(=O)=O)cc1)C(F)(F)F
SMILES: CC(O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2CN(CC2CC2)S(C)(=O)=O)cc1)C(F)(F)F

Molecular Processing

Molecular formula
C23H30F3N3O5S3
Molecular weight
581.7
Exact mass
581.13
XLogP
3.07
TPSA
98.23
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
37
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.565
Molar refractivity
135.42

Supplementary Information

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