Nombre: ethyl (4′-{2-[(1S,2R)-2-hydroxy-2-(4-hydroxyphenyl)-1-methylethylamino]ethoxy}-2′,6′-dimethyl biphenyl-4-yloxy)acetate
SMILES:
CCOC(=O)COc1ccc(-c2c(C)cc(OCCN[C@@H](C)[C@H](O)c3ccc(O)cc3)cc2C)cc1Molecular Processing
Molecular formula
C29H35NO6
Molecular weight
493.6
Exact mass
493.2464
XLogP
4.71
TPSA
97.25
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
36
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.345
Molar refractivity
139.51
Supplementary Information
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