Name: methyl cis(±)-5-(4-{[(benzyloxy)carbonyl]amino}-3-methoxypiperidin-1-yl)-2-fluorobenzoate
SMILES:
COC(=O)c1cc(N2CC[C@H](NC(=O)OCc3ccccc3)[C@H](OC)C2)ccc1FMolecular Processing
Molecular formula
C22H25FN2O5
Molecular weight
416.45
Exact mass
416.1748
XLogP
3.13
TPSA
77.1
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
108.92
Supplementary Information
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Involved in 4 reactions→