Name: [(3S)-6-({4′-[2-(ethylthio)ethoxy]-2′,6′-dimethylbiphenyl-3-yl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILES:
CCSCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)O)c2)c(C)c1Molecular Processing
Molecular formula
C29H32O5S
Molecular weight
492.64
Exact mass
492.197
XLogP
6.63
TPSA
64.99
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.345
Molar refractivity
141.11
Supplementary Information
Details werden geladen…
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