Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2cccc3c2cc(I)n3S(=O)(=O)c2ccccc2)CC1- InChIKey
LYSHDIRLYBYQKD-UHFFFAOYSA-N- Molecular formula
- C23H26IN3O4S
- Average molar mass
- 567.4 g/mol
Names & identifiers
- Preferred name
- 1-Piperazinecarboxylic acid,4-[2-iodo-1-(phenylsulfonyl)-1h-indol-4-yl]-,1,1-dimethylethyl ester
- IUPAC
- tert-butyl 4-[1-(benzenesulfonyl)-2-iodoindol-4-yl]piperazine-1-carboxylate
Names & synonyms
1-piperazinecarboxylic acid,4-[2-iodo-1-(phenylsulfonyl)-1h-indol-4-yl]-,1,1-dimethylethyl ester412049-39-9SCHEMBL4315339LYSHDIRLYBYQKD-UHFFFAOYSA-Ntert-Butyl 4-[2-iodo-1-(phenylsulfonyl)-1H-indol-4-yl]-1-piperazinecarboxylate
Database identifiers
- PubChem CID
- 22015330
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 767
Related reactions
5 records
Compound notes
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