名称: 4-[3-(4-fluoro-phenoxy)-phenylcarbamoyl]-piperidine-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cccc(Oc3ccc(F)cc3)c2)CC1Molecular Processing
Molecular formula
C23H27FN2O4
Molecular weight
414.48
Exact mass
414.1955
XLogP
5.2
TPSA
67.87
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
112.08
Supplementary Information
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