Name: methyl {(2S,4R)-1-[(1S)-4-methyl-1-(tetrahydro-2H-pyran-4-ylmethyl)pent-4-en-2-yn-1-yl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl}acetate
SMILES:
C=C(C)C#C[C@H](CC1CCOCC1)N1CC[C@@H](CC(=O)OC)C[C@H]1c1ccc(C(F)(F)F)cc1Molecular Processing
Molecular formula
C27H34F3NO3
Molecular weight
477.57
Exact mass
477.2491
XLogP
5.79
TPSA
38.77
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
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
0.593
Molar refractivity
124.79
Supplementary Information
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