이름: 4-[2-(2-ethoxycarbonyl-ethyl)-3-[6-(5-(propane-1-sulfonyl)-4′-fluoro-biphenyl-3-yloxy)-hexyl]-phenoxy]-butyric acid ethyl ester
SMILES:
CCCS(=O)(=O)c1cc(OCCCCCCc2cccc(OCCCC(=O)OCC)c2CCC(=O)OCC)cc(-c2ccc(F)cc2)c1Molecular Processing
Molecular formula
C38H49FO8S
Molecular weight
684.87
Exact mass
684.3132
XLogP
8.08
TPSA
105.2
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
22
Heavy atoms
48
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.474
Molar refractivity
184.6
Supplementary Information
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