이름: 4-benzoyloxy-[1,4′]bipiperidinyl-1′-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCC(N2CCC(OC(=O)c3ccccc3)CC2)CC1Molecular Processing
Molecular formula
C22H32N2O4
Molecular weight
388.51
Exact mass
388.2362
XLogP
3.71
TPSA
59.08
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
28
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
107.28
Supplementary Information
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