SMILES:
Cc1ccc(S(=O)(=O)n2ccc3c2CCCC32OCC(CNC(C)C)O2)cc1Molecular Processing
Molecular formula
C21H28N2O4S
Molecular weight
404.53
Exact mass
404.177
XLogP
2.94
TPSA
69.56
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
106.77
Supplementary Information
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