이름: 1-benzyl-3-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]-3-hydroxypiperidine
SMILES:
CCCCCCC(C)(C)c1ccc(C2(O)CCCN(Cc3ccccc3)C2)c(OCc2ccccc2)c1Molecular Processing
Molecular formula
C34H45NO2
Molecular weight
499.74
Exact mass
499.345
XLogP
8
TPSA
32.7
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
12
Heavy atoms
37
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
153.85
Supplementary Information
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