SMILES:
COc1cc(OCCS(C)=O)ccc1NC(=O)C1NC(CC(C)(C)C)C2(C(=O)Nc3cc(Cl)ccc32)C1c1cccc(Cl)c1FMolecular Processing
Molecular formula
C33H36Cl2FN3O5S
Molecular weight
676.64
Exact mass
675.1737
XLogP
6.29
TPSA
105.76
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
45
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.394
Molar refractivity
176.75
Supplementary Information
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