SMILES:
C=CCN(CCc1ccc(N(C)S(=O)(=O)c2ccc(C(C)C)cc2)cc1)C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C26H36N2O4S
Molecular weight
472.65
Exact mass
472.2396
XLogP
5.6
TPSA
66.92
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
33
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
134.27
Supplementary Information
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