SMILES:
CCS(=O)C1=C(C(=O)OCc2ccccc2)N2C(=O)C(Cc3ccccc3)C2C1Molecular Processing
Molecular formula
C23H23NO4S
Molecular weight
409.51
Exact mass
409.1348
XLogP
3.18
TPSA
63.68
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
110.83
Supplementary Information
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