이름: methyl 2-({2-[4-(benzyloxy)phenyl]ethyl}thio)-3-[4-(2-{4-[(methylsulfonyl)oxy]phenoxy}ethyl)phenyl]propanoate
SMILES:
COC(=O)C(Cc1ccc(CCOc2ccc(OS(C)(=O)=O)cc2)cc1)SCCc1ccc(OCc2ccccc2)cc1Molecular Processing
Molecular formula
C34H36O7S2
Molecular weight
620.79
Exact mass
620.1902
XLogP
6.29
TPSA
88.13
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
16
Heavy atoms
43
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.265
Molar refractivity
170.44
Supplementary Information
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