名称: methyl [(3S)-6-({2′-(acetoxymethyl)-6′-methyl-4′-[3-(methylsulfonyl)propoxy]biphenyl-3-yl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetate
SMILES:
COC(=O)C[C@@H]1COc2cc(OCc3cccc(-c4c(C)cc(OCCCS(C)(=O)=O)cc4COC(C)=O)c3)ccc21Molecular Processing
Molecular formula
C32H36O9S
Molecular weight
596.7
Exact mass
596.208
XLogP
5.16
TPSA
114.43
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
13
Heavy atoms
42
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
157.55
Supplementary Information
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