Name: ethyl cis(±)-2-(4-{[(benzyloxy)carbonyl]amino}-3-methoxypiperidin-1-yl)-5-methylpyridine-4-carboxylate
SMILES:
CCOC(=O)c1cc(N2CC[C@H](NC(=O)OCc3ccccc3)[C@H](OC)C2)ncc1CMolecular Processing
Molecular formula
C23H29N3O5
Molecular weight
427.5
Exact mass
427.2107
XLogP
3.09
TPSA
89.99
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
31
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
0.435
Molar refractivity
116.11
Supplementary Information
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Involved in 2 reactions→