Name: 4-[3-(2-ethoxycarbonyl-2-oxo-ethyl)-4-nitro-phenoxy]-piperidine-1-carboxylic acid tert-butyl ester
SMILES:
CCOC(=O)C(=O)Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C21H28N2O8
Molecular weight
436.46
Exact mass
436.1846
XLogP
3.05
TPSA
125.28
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
31
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
109.9
Supplementary Information
Details werden geladen…
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