Basic information
- Standard SMILES
NC(=O)c1c(NC(=O)CBr)sc2c1CCCC2- InChIKey
ITHFJIMYHSRWDA-UHFFFAOYSA-N- Molecular formula
- C11H13BrN2O2S
- Average molar mass
- 317.2 g/mol
- Monoisotopic mass
- 315.98811076
Names & identifiers
- Preferred name
- 2-(2-Bromoacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
- IUPAC
- 2-[(2-bromoacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Names & synonyms
SCHEMBL3453042ITHFJIMYHSRWDA-UHFFFAOYSA-NDTXSID2011451702-(2-bromoacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide1001020-10-52-(2-Bromoacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide2-[(2-Bromoacetyl)amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
Database identifiers
- CAS
1001020-10-5- PubChem CID
- 59520523
- DTXSID
DTXSID201145170
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 327
Related reactions
13 records
Linked notes
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