tert-Butyl 4-[2-phenyl-1-(phenylsulfonyl)-1H-indol-4-yl]-1-piperazinecarboxylate
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2cccc3c2cc(-c2ccccc2)n3S(=O)(=O)c2ccccc2)CC1- InChIKey
AYXRMCVUMUHXBA-UHFFFAOYSA-N- Molecular formula
- C29H31N3O4S
- Average molar mass
- 517.6 g/mol
- Monoisotopic mass
- 517.20352765
Names & identifiers
- Preferred name
- tert-Butyl 4-[2-phenyl-1-(phenylsulfonyl)-1H-indol-4-yl]-1-piperazinecarboxylate
- IUPAC
- tert-butyl 4-[1-(benzenesulfonyl)-2-phenylindol-4-yl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL13892445AYXRMCVUMUHXBA-UHFFFAOYSA-Ntert-Butyl 4-[2-phenyl-1-(phenylsulfonyl)-1H-indol-4-yl]-1-piperazinecarboxylate
Database identifiers
- PubChem CID
- 22015379
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 878
Related reactions
6 records
Compound notes
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