SMILES:
CC(C)(Oc1ccc(Cl)cc1)C(=O)N1C(c2ccccc2)SC(C)(C)C1C(=O)OMolecular Processing
Molecular formula
C22H24ClNO4S
Molecular weight
433.96
Exact mass
433.1115
XLogP
5
TPSA
66.84
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
115.28
Supplementary Information
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