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Basic information
- Standard SMILES
CC(=O)N1CC(CCS(C)(=O)=O)c2cc(Br)ccc21- InChIKey
FDYQYYHTNJDDSG-UHFFFAOYSA-N- Molecular formula
- C13H16BrNO3S
- Average molar mass
- 346.24 g/mol
Names & identifiers
- Preferred name
- 1-Acetyl-5-bromo-2,3-dihydro-3-[2-(methanesulphonyl)ethyl]-1h-indole
- IUPAC
- 1-[5-bromo-3-(2-methylsulfonylethyl)-2,3-dihydroindol-1-yl]ethanone
Names & synonyms
SCHEMBL7214549FDYQYYHTNJDDSG-UHFFFAOYSA-N1-acetyl-5-bromo-2,3-dihydro-3-[2-(methanesulphonyl)ethyl]-1h-indole
Database identifiers
- PubChem CID
- 18545809
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 445
Related reactions
2 records
Compound notes
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