SMILES:
COc1cc(C(=O)N2CCC(CCS(C)(=O)=O)(c3ccccc3)C2)cc(OC)c1OCMolecular Processing
Molecular formula
C23H29NO6S
Molecular weight
447.55
Exact mass
447.1716
XLogP
2.93
TPSA
82.14
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
119.07
Supplementary Information
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