Basic information
- Standard SMILES
CC(=O)N1CCc2c(sc(C)c2C(=O)CBr)C1- InChIKey
FCJXPFKDTOTIMM-UHFFFAOYSA-N- Molecular formula
- C12H14BrNO2S
- Average molar mass
- 316.22 g/mol
Names & identifiers
- Preferred name
- 6-Acetyl-3-bromoacetyl-4,5,6,7-tetrahydro-2-methylthieno[2,3-c]pyridine
- IUPAC
- 1-(6-acetyl-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-2-bromoethanone
Names & synonyms
SCHEMBL8917300FCJXPFKDTOTIMM-UHFFFAOYSA-N6-acetyl-3-bromoacetyl-4,5,6,7-tetrahydro-2-methylthieno[2,3-c]pyridine
Database identifiers
- PubChem CID
- 21471958
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 65.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 336
Related reactions
3 records
Compound notes
Loading…