Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)CC1- InChIKey
HIYKHLLLVOSDQH-UHFFFAOYSA-N- Molecular formula
- C22H26N4O4S
- Average molar mass
- 442.5 g/mol
- Monoisotopic mass
- 442.1674765
Names & identifiers
- Preferred name
- 1-Piperazinecarboxylic acid, 4-[1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-, 1,1-dimethylethyl ester
- IUPAC
- tert-butyl 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]piperazine-1-carboxylate
Names & synonyms
947498-94-41-Piperazinecarboxylic acid, 4-[1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-, 1,1-dimethylethyl estertert-butyl 4-(1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)piperazine-1-carboxylateSCHEMBL3337630HIYKHLLLVOSDQH-UHFFFAOYSA-N1-Piperazinecarboxylic acid,4-[1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-,1,1-dimethylethyl esterDB-405251
Database identifiers
- PubChem CID
- 59259331
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 734
Related reactions
4 records
Compound notes
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