이름: (3S)-tert-butyl 3-(3-(4-fluorophenyl)-3-hydroxyhex-5-enylamino)-piperidine-1-carboxylate
SMILES:
C=CCC(O)(CCN[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1Molecular Processing
Molecular formula
C22H33FN2O3
Molecular weight
392.52
Exact mass
392.2475
XLogP
3.97
TPSA
61.8
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
28
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.591
Molar refractivity
108.56
Supplementary Information
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