5-Bromo-N-cyclopropylbenzo[b]thiophene-2-carboxamide
Basic information
- CAS
439108-13-1- Standard SMILES
O=C(NC1CC1)c1cc2cc(Br)ccc2s1- InChIKey
WDBFZOXGWOPOMS-UHFFFAOYSA-N- Molecular formula
- C12H10BrNOS
- Average molar mass
- 296.18 g/mol
- Monoisotopic mass
- 294.96665
Names & identifiers
- Preferred name
- 5-Bromo-N-cyclopropylbenzo[b]thiophene-2-carboxamide
- IUPAC
- 5-bromo-N-cyclopropyl-1-benzothiophene-2-carboxamide
Names & synonyms
439108-13-15-Bromo-N-cyclopropylbenzo[b]thiophene-2-carboxamide5-Bromo-N-cyclopropylbenzo(b)thiophene-2-carboxamideRefChem:3020215-bromo-N-cyclopropyl-1-benzothiophene-2-carboxamideMFCD03012929Oprea1_115260MLS001165888Benzo[b]thiophene-2-carboxamide, 5-bromo-N-cyclopropyl-CHEMBL1342183DTXSID901219255HMS2995F09
Show more names
AKOS015992722SMR000672494CS-03671803T-15335-bromo-N-cyclopropyl-benzothiophene-2-carboxamideA1-36287
Database identifiers
- CAS
439108-13-1- PubChem CID
- 1474493
- DTXSID
DTXSID901219255- ChEMBL
CHEMBL1342183
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 295
Experimental & physicochemical properties
Solubility<0.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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