이름: cis(±)-N-benzyl-3-(2,2-difluoroethoxy)-1-(trifluoroacetyl)piperidin-4-amine
SMILES:
O=C(N1CC[C@H](NCc2ccccc2)[C@H](OCC(F)F)C1)C(F)(F)FMolecular Processing
Molecular formula
C16H19F5N2O2
Molecular weight
366.33
Exact mass
366.1367
XLogP
2.59
TPSA
41.57
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
80.07
Supplementary Information
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