CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nccc(Oc2cc(F)c(N)cc2F)c1I
Name: 4-(2,5-difluoro-4-aminophenoxy)-3-iodo-2-[bis[(1,1-dimethylethoxy)carbonyl]amino]pyridine
SMILES: CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nccc(Oc2cc(F)c(N)cc2F)c1I

Molecular Processing

Molecular formula
C21H24F2IN3O5
Molecular weight
563.34
Exact mass
563.0729
XLogP
6.02
TPSA
103.98
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
32
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
122.75

Supplementary Information

Details werden geladen…

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