Nombre: tert-butyl 4-[2-(4-fluorophenyl)-3-iodoimidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCN(c2ccc3nc(-c4ccc(F)cc4)c(I)n3n2)CC1Molecular Processing
Molecular formula
C21H23FIN5O2
Molecular weight
523.35
Exact mass
523.0881
XLogP
4.2
TPSA
62.97
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
121.12
Supplementary Information
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