Name: tert-butyl 4-[[(2-chloro-2-phenyl-acetyl)-[(4-methoxyphenyl)methyl]amino]methyl]-4-hydroxy-piperidine-1-carboxylate
SMILES:
COc1ccc(CN(CC2(O)CCN(C(=O)OC(C)(C)C)CC2)C(=O)C(Cl)c2ccccc2)cc1Molecular Processing
Molecular formula
C27H35ClN2O5
Molecular weight
503.04
Exact mass
502.2234
XLogP
4.77
TPSA
79.31
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
35
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.481
Molar refractivity
135.44
Supplementary Information
Details werden geladen…
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