Basic information
- Standard SMILES
CC(=O)OCc1c(Br)cccc1N1CCc2c(sc3c2CCCC3)C1=O- InChIKey
HUVNVTQMPVUOGQ-UHFFFAOYSA-N- Molecular formula
- C20H20BrNO3S
- Average molar mass
- 434.3 g/mol
Names & identifiers
- Preferred name
- 2-Bromo-6-(1-oxo-3,4,5,6,7,8-hexahydrobenzothieno[2,3-c]pyridin-2(1H)-yl)benzyl Acetate
- IUPAC
- [2-bromo-6-(1-oxo-3,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-c]pyridin-2-yl)phenyl]methyl acetate
Names & synonyms
SCHEMBL1392598HUVNVTQMPVUOGQ-UHFFFAOYSA-N2-Bromo-6-(1-oxo-3,4,5,6,7,8-hexahydrobenzothieno[2,3-c]pyridin-2(1H)-yl)benzyl Acetate
Database identifiers
- PubChem CID
- 67016153
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 559
Related reactions
2 records
Compound notes
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