Name: methyl cis(±)-6-(4-{[(benzyloxy)carbonyl]amino}-3-methoxypiperidin-1-yl)pyrimidine-4-carboxylate
SMILES:
COC(=O)c1cc(N2CC[C@H](NC(=O)OCc3ccccc3)[C@H](OC)C2)ncn1Molecular Processing
Molecular formula
C20H24N4O5
Molecular weight
400.44
Exact mass
400.1747
XLogP
1.78
TPSA
102.88
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
104.55
Supplementary Information
Details werden geladen…
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