Name: (S)-ethyl 1-(2-(4-cyanophenyl)-2-oxoethyl)piperidine-3-carboxylate, hydrobromide
SMILES:
Br.CCOC(=O)[C@H]1CCCN(CC(=O)c2ccc(C#N)cc2)C1Molecular Processing
Molecular formula
C17H21BrN2O3
Molecular weight
381.27
Exact mass
380.0736
XLogP
2.59
TPSA
70.4
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.471
Molar refractivity
91.61
Supplementary Information
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