Name: methyl {(2S,4R)-1-[(1R)-4-methyl-1-(tetrahydro-2H-pyran-4-ylmethyl)pentyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl}acetate
SMILES:
COC(=O)C[C@@H]1CCN([C@H](CCC(C)C)CC2CCOCC2)[C@H](c2ccc(C(F)(F)F)cc2)C1Molecular Processing
Molecular formula
C27H40F3NO3
Molecular weight
483.62
Exact mass
483.296
XLogP
6.64
TPSA
38.77
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
34
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.741
Molar refractivity
126.27
Supplementary Information
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