SMILES:
COCCCN1CCOc2ccc(COC3CN(S(=O)(=O)c4ccc(C)cc4)C(CCC(C)(C)O)CC3c3ccc(OC)cc3)cc21Molecular Processing
Molecular formula
C37H50N2O7S
Molecular weight
666.88
Exact mass
666.3339
XLogP
5.92
TPSA
97.77
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
14
Heavy atoms
47
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.514
Molar refractivity
183.96
Supplementary Information
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