Name: tert-butyl 3-(4-bromo-3-nitrobenzyloxy)-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate
SMILES:
COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2OCc2ccc(Br)c([N+](=O)[O-])c2)cc1Molecular Processing
Molecular formula
C34H41BrN2O8
Molecular weight
685.61
Exact mass
684.2046
XLogP
7.66
TPSA
109.6
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
13
Heavy atoms
45
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.441
Molar refractivity
173.74
Supplementary Information
Details werden geladen…
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