이름: tert-butyl N-(1-benzylpiperidin-4-yl)-N-[2-(4-trifluoromethylphenyl)ethyl]carbamate
SMILES:
CC(C)(C)OC(=O)N(CCc1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccccc2)CC1Molecular Processing
Molecular formula
C26H33F3N2O2
Molecular weight
462.56
Exact mass
462.2494
XLogP
6.15
TPSA
32.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
122.83
Supplementary Information
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