Name: cis(±)-6-(4-{[(Benzyloxy)carbonyl]amino}-3-methoxypiperidin-1-yl)pyrimidine-4-carboxylic acid
SMILES:
CO[C@@H]1CN(c2cc(C(=O)O)ncn2)CC[C@@H]1NC(=O)OCc1ccccc1Molecular Processing
Molecular formula
C19H22N4O5
Molecular weight
386.41
Exact mass
386.159
XLogP
1.69
TPSA
113.88
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
28
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
0.368
Molar refractivity
100.17
Supplementary Information
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