tert-Butyl 4-[2-phenyl-1-(phenylsulfonyl)-1H-indol-4-yl]-1-piperazinecarboxylate

HCID 22015379
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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 properties

XLogP
5.7
Topological polar surface area
80.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
37

Related reactions

6 records
New reaction record

Linked notes

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