Basic information
- CAS
40713-20-0- Standard SMILES
COc1ccc2c(C)c(C(=O)N3CCN(c4ccccc4)CC3)oc2c1OC- InChIKey
YJSJOBKLMAKGEG-UHFFFAOYSA-N- Molecular formula
- C22H24N2O4
- Average molar mass
- 380.4 g/mol
- Monoisotopic mass
- 380.17360725
Names & identifiers
- Preferred name
- Piperazine, 1-((6,7-dimethoxy-3-methyl-2-benzofuranyl)carbonyl)-4-phenyl-
- IUPAC
- (6,7-dimethoxy-3-methyl-1-benzofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone
Names & synonyms
BRN 0855598Piperazine, 1-((6,7-dimethoxy-3-methyl-2-benzofuranyl)carbonyl)-4-phenyl-40713-20-0DTXSID001937041-((6,7-Dimethoxy-3-methyl-2-benzofuranyl)carbonyl)-4-phenylpiperazine5-23-02-00412 (Beilstein Handbook Reference)RefChem:371833DTXCID00116195(6,7-dimethoxy-3-methyl-1-benzofuran-2-yl)(4-phenylpiperazin-1-yl)methanoneCBDivE_011060
Database identifiers
- CAS
40713-20-0- PubChem CID
- 218484
- DTXSID
DTXSID00193704
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 55.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 531
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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