이름: benzyl 4′-{2-[(1S,2R)-2-hydroxy-2-(4-hydroxyphenyl)-1-methylethylamino]ethoxy}-3′,5′-dimethyl -biphenyl-4-carboxylate
SMILES:
Cc1cc(-c2ccc(C(=O)OCc3ccccc3)cc2)cc(C)c1OCCN[C@@H](C)[C@H](O)c1ccc(O)cc1Molecular Processing
Molecular formula
C33H35NO5
Molecular weight
525.65
Exact mass
525.2515
XLogP
6.12
TPSA
88.02
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
39
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.242
Molar refractivity
152.94
Supplementary Information
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