Name: (E)-(S)-2-Ethoxy-3-{4-[3-(3-phenoxy-phenyl)-allyloxy]-phenyl}-propionic acid ethyl ester
SMILES:
CCOC(=O)[C@H](Cc1ccc(OC/C=C/c2cccc(Oc3ccccc3)c2)cc1)OCCMolecular Processing
Molecular formula
C28H30O5
Molecular weight
446.54
Exact mass
446.2093
XLogP
6.08
TPSA
53.99
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
33
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
129.68
Supplementary Information
Details werden geladen…
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