SMILES:
COc1cc(OCCS(C)(=O)=O)ccc1NC(=O)C1NC(CC(C)(C)C)C2(C(=O)Nc3cc(Cl)ccc32)C1c1cccc(Cl)c1FMolecular Processing
Molecular formula
C33H36Cl2FN3O6S
Molecular weight
692.64
Exact mass
691.1686
XLogP
5.95
TPSA
122.83
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
46
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.394
Molar refractivity
177.52
Supplementary Information
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