Basic information
- Standard SMILES
Br.O=C(O)c1ccc(-c2csc(N3CCN(N4CCOCC4)CC3)n2)cc1- InChIKey
WBPPCMGLOUPMSB-UHFFFAOYSA-N- Molecular formula
- C18H23BrN4O3S
- Average molar mass
- 455.4 g/mol
Names & identifiers
- Preferred name
- 4-[2-[4-(4-Morpholinyl)-1-piperazinyl]-4-thiazolyl]benzoic acid hydrobromide
- IUPAC
- 4-[2-(4-morpholin-4-ylpiperazin-1-yl)-1,3-thiazol-4-yl]benzoic acid;hydrobromide
Names & synonyms
SCHEMBL1840854WBPPCMGLOUPMSB-UHFFFAOYSA-N4-[2-[4-(4-morpholinyl)-1-piperazinyl]-4-thiazolyl]benzoic acid hydrobromide
Database identifiers
- PubChem CID
- 67181771
Properties
Computed structural properties
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 475
Related reactions
4 records
Compound notes
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