Name: 1,1-dimethylethyl (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)OC(C)(C)CMolecular Processing
Molecular formula
C24H32FN3O2
Molecular weight
413.54
Exact mass
413.2479
XLogP
4.39
TPSA
58.8
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
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
117.41
Supplementary Information
Details werden geladen…
An 13 Reaktionen beteiligt→