Basic information
- Standard SMILES
CC(C)(C)OC(=O)N(c1ccc2c(c1)c(I)nn2C(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1S(C)(=O)=O- InChIKey
FMBRHXYYTLRWCN-UHFFFAOYSA-N- Molecular formula
- C24H28IN3O8S2
- Average molar mass
- 677.5 g/mol
Names & identifiers
- Preferred name
- tert-butyl 3-iodo-5-(N-tert-butoxycarbonyl-2-methylsulfonylbenzenesulfonylamino)indazole-1-carboxylate
- IUPAC
- tert-butyl 3-iodo-5-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylsulfonylphenyl)sulfonylamino]indazole-1-carboxylate
Names & synonyms
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
Database identifiers
- PubChem CID
- 22567083
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
18 records
Linked notes
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