Nombre: (3RS,4RS)-3-(1 -tert-butoxycarbonyl-3-naphthalen-2-ylmethoxy-piperidin-4-yl)-benzoic acid
SMILES:
CC(C)(C)OC(=O)N1CCC(c2cccc(C(=O)O)c2)C(OCc2ccc3ccccc3c2)C1Molecular Processing
Molecular formula
C28H31NO5
Molecular weight
461.56
Exact mass
461.2202
XLogP
5.85
TPSA
76.07
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
131.09
Supplementary Information
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