SMILES:
CCCCCC(C)C(C)c1cc(OC(=O)CCCN2CCOCC2)c2c(c1)OC(C)(C)C1=C2CC(C)S1Molecular Processing
Molecular formula
C31H47NO4S
Molecular weight
529.79
Exact mass
529.3226
XLogP
7.43
TPSA
48
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
37
Rings
4
Aromatic rings
1
Saturated rings
1
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.71
Molar refractivity
153.59
Supplementary Information
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