SMILES:
COc1cc(C(=O)N2CCO[C@](CCOS(=O)(=O)c3ccc(Cl)cc3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OCMolecular Processing
Molecular formula
C28H28Cl3NO8S
Molecular weight
644.96
Exact mass
643.0601
XLogP
5.84
TPSA
100.6
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
41
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
155.3
Supplementary Information
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