Nom: 4-(2-fluoro-4-iodophenylamino)-indazole-1,5-dicarboxylic acid di-tert-butyl ester
SMILES:
CC(C)(C)OC(=O)c1ccc2c(cnn2C(=O)OC(C)(C)C)c1Nc1ccc(I)cc1FMolecular Processing
Molecular formula
C23H25FIN3O4
Molecular weight
553.37
Exact mass
553.0874
XLogP
6.26
TPSA
82.45
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
128.93
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→