COc1ccc(CC(N(C)S(=O)(=O)c2ccc(C)cc2)C(C)(C)C(=O)O)cc1
Name: 2,2-dimethyl-4-(p-methoxyphenyl)-3-(N-methyl-p-toluenesulfonamido)butyric acid
SMILES: COc1ccc(CC(N(C)S(=O)(=O)c2ccc(C)cc2)C(C)(C)C(=O)O)cc1

Molecular Processing

Molecular formula
C21H27NO5S
Molecular weight
405.52
Exact mass
405.161
XLogP
3.35
TPSA
83.91
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
28
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
108.03

Supplementary Information

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