Name: 4-[4-(3-tert-butyl-phenylcarbamoyl)-phenyl]-piperidine-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCC(c2ccc(C(=O)Nc3cccc(C(C)(C)C)c3)cc2)CC1Molecular Processing
Molecular formula
C27H36N2O3
Molecular weight
436.6
Exact mass
436.2726
XLogP
6.35
TPSA
58.64
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.481
Molar refractivity
129.32
Supplementary Information
Details werden geladen…
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