Urea, 1-(4,7-dimethoxy-6-(4-piperidinobutoxy)-5-benzofuranyl)-3-methyl-
Basic information
- CAS
75883-62-4- Standard SMILES
CNC(=O)Nc1c(OCCCCN2CCCCC2)c(OC)c2occc2c1OC- InChIKey
OIVODPJMGQHUON-UHFFFAOYSA-N- Molecular formula
- C21H31N3O5
- Average molar mass
- 405.5 g/mol
- Monoisotopic mass
- 405.2263711
Names & identifiers
- Preferred name
- Urea, 1-(4,7-dimethoxy-6-(4-piperidinobutoxy)-5-benzofuranyl)-3-methyl-
- IUPAC
- 1-[4,7-dimethoxy-6-(4-piperidin-1-ylbutoxy)-1-benzofuran-5-yl]-3-methylurea
- English name
- 3-[4,7-dimethoxy-6-[4-(1-piperidyl)butoxy]benzofuran-5-yl]-1-methyl-ur ea
- Molecular formula
- C21H31N3O5
- Molecular weight
- 0
Names & synonyms
75883-62-4BRN 5164853Urea, 1-(4,7-dimethoxy-6-(4-piperidinobutoxy)-5-benzofuranyl)-3-methyl-DTXSID90226792N-(4,7-Dimethoxy-6-(4-piperidinobutoxy)-5-benzofuranyl)-N'-methylureaRefChem:387457DTXCID20149283CHEMBL43106N-{4,7-Dimethoxy-6-[4-(piperidin-1-yl)butoxy]-1-benzofuran-5-yl}-N'-methylurea3-[4,7-dimethoxy-6-[4-(1-piperidyl)butoxy]benzofuran-5-yl]-1-methyl-ur ea
Database identifiers
- CAS
75883-62-4- PubChem CID
- 3058970
- DTXSID
DTXSID90226792- ChEMBL
CHEMBL43106- Nikkaji
- J87.677A
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 503
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Related reactions
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Compound notes
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