Vinyl 4-[(5-bromo-1H-indol-3-yl)thio]piperidine-1-carboxylate

HCID 19936620
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Basic information

Standard SMILES
C=COC(=O)N1CCC(Sc2c[nH]c3ccc(Br)cc23)CC1
InChIKey
JKZLAFSAJUJCEC-UHFFFAOYSA-N
Molecular formula
C16H17BrN2O2S
Average molar mass
381.3 g/mol

Names & identifiers

Preferred name
Vinyl 4-[(5-bromo-1H-indol-3-yl)thio]piperidine-1-carboxylate
IUPAC
ethenyl 4-[(5-bromo-1H-indol-3-yl)sulfanyl]piperidine-1-carboxylate

Names & synonyms

SCHEMBL9174233JKZLAFSAJUJCEC-UHFFFAOYSA-NVinyl 4-[(5-bromo-1H-indol-3-yl)thio]piperidine-1-carboxylate

Database identifiers

PubChem CID
19936620

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
70.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
22

Related reactions

2 records
New reaction record

Linked notes

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