Name: (E)-3-{1′-tert-Butoxycarbonyl-4-oxo-spiro[chromane-2,4′-piperidine]-7-yl}-acrylic acid methyl ester
SMILES:
COC(=O)/C=C/c1ccc2c(c1)OC1(CCN(C(=O)OC(C)(C)C)CC1)CC2=OMolecular Processing
Molecular formula
C22H27NO6
Molecular weight
401.46
Exact mass
401.1838
XLogP
3.61
TPSA
82.14
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
29
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
106.84
Supplementary Information
Details werden geladen…
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