Name: phenylmethyl (2S)-4-{[5′-(aminomethyl)-2′-fluoro-3-biphenylyl]methyl}-2-methyl-1-piperazinecarboxylate
SMILES:
C[C@H]1CN(Cc2cccc(-c3cc(CN)ccc3F)c2)CCN1C(=O)OCc1ccccc1Molecular Processing
Molecular formula
C27H30FN3O2
Molecular weight
447.55
Exact mass
447.2322
XLogP
4.79
TPSA
58.8
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.296
Molar refractivity
127.8
Supplementary Information
Details werden geladen…
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