Name: 5-{4-[2-(5-bromo-2-fluorophenyl)ethyl]-1-piperazinyl}-2-methylquinoline
SMILES:
Cc1ccc2c(N3CCN(CCc4cc(Br)ccc4F)CC3)cccc2n1Molecular Processing
Molecular formula
C22H23BrFN3
Molecular weight
428.35
Exact mass
427.1059
XLogP
4.81
TPSA
19.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
112.94
Supplementary Information
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Involved in 25 reactions→