Vinyl 4-[(5-bromo-1H-indol-3-yl)thio]piperidine-1-carboxylate
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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 propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 415
Related reactions
2 records
Compound notes
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