CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)N(C(=O)OC(C)(C)C)S(=O)(=O)C3=CC=CC=C3S(=O)(=O)C)C(=N1)I
Nombre: tert-butyl 3-iodo-5-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylsulfonylphenyl)sulfonylamino]indazole-1-carboxylate
SMILES: CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)N(C(=O)OC(C)(C)C)S(=O)(=O)C3=CC=CC=C3S(=O)(=O)C)C(=N1)I

Molecular Processing

Molecular formula
C24H28IN3O8S2
Molecular weight
677.54
Exact mass
677.0363
XLogP
4.96
TPSA
141.94
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
38
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
149.53

Supplementary Information

InChIKey: FMBRHXYYTLRWCN-UHFFFAOYSA-N
Sinónimos
SCHEMBL4004176FMBRHXYYTLRWCN-UHFFFAOYSA-Ntert-butyl 3-iodo-5-(N-tert-butoxycarbonyl-2-methylsulfonylbenzenesulfonylamino)-indazole-1-carboxylatetert-butyl 3-iodo-5-(N-tert-butoxycarbonyl-2-methylsulfonylbenzenesulfonylamino)indazole-1-carboxylate
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