Basic information
- CAS
55831-73-7- Standard SMILES
CCOC(=O)c1c(C)oc2cc(CN3CCN(C)CC3)c(O)c(Cl)c12- InChIKey
GJWHAXNIKLQMGG-UHFFFAOYSA-N- Molecular formula
- C18H23ClN2O4
- Average molar mass
- 366.8 g/mol
- Monoisotopic mass
- 366.1346349
Names & identifiers
- Preferred name
- 3-Benzofurancarboxylic acid, 4-chloro-5-hydroxy-2-methyl-6-((4-methyl-1-piperazinyl)methyl)-, ethyl ester
- IUPAC
- ethyl 4-chloro-5-hydroxy-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate
Names & synonyms
BRN 08966023-Benzofurancarboxylic acid, 4-chloro-5-hydroxy-2-methyl-6-((4-methyl-1-piperazinyl)methyl)-, ethyl ester55831-73-7DTXSID602044215-23-02-00517 (Beilstein Handbook Reference)RefChem:276887DTXCID60126912ethyl 4-chloro-5-hydroxy-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylateSCHEMBL11821559
Database identifiers
- CAS
55831-73-7- PubChem CID
- 41641
- DTXSID
DTXSID60204421- Nikkaji
- J71.507G
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 66.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 472
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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