SMILES:
COc1ccccc1C(C)C(=O)N1CC2CC(COS(=O)(=O)c3ccc(C)cc3)CC(O)(c3ccccc3OC)C2C1Molecular Processing
Molecular formula
C33H39NO7S
Molecular weight
593.74
Exact mass
593.2447
XLogP
4.89
TPSA
102.37
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
42
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.424
Molar refractivity
158.9
Supplementary Information
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