Name: 1,1-dimethylethyl (2S)-4-[(3-fluoro-4-nitrophenyl)methyl]-2-methyl-1-piperazinecarboxylate
SMILES:
C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CCN1C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C17H24FN3O4
Molecular weight
353.39
Exact mass
353.1751
XLogP
3.18
TPSA
75.92
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
90.73
Supplementary Information
Details werden geladen…
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