COCCOc1ccc(S(=O)(=O)[C@H]2CCN(c3cc(C(F)(F)F)nc(SC)n3)C2)c(Cl)c1
SMILES: COCCOc1ccc(S(=O)(=O)[C@H]2CCN(c3cc(C(F)(F)F)nc(SC)n3)C2)c(Cl)c1

Molecular Processing

Molecular formula
C19H21ClF3N3O4S2
Molecular weight
511.98
Exact mass
511.0614
XLogP
3.95
TPSA
81.62
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.474
Molar refractivity
115.44

Supplementary Information

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