이름: Methyl cis(±)-5-(4-{[(benzyloxy)carbonyl]amino}-3-methoxypiperidin-1-yl)-2-nitrobenzoate
SMILES:
COC(=O)c1cc(N2CC[C@H](NC(=O)OCc3ccccc3)[C@H](OC)C2)ccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C22H25N3O7
Molecular weight
443.46
Exact mass
443.1693
XLogP
2.9
TPSA
120.24
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
115.61
Supplementary Information
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