Basic information
- CAS
74229-21-3- Standard SMILES
CN(C)Cc1c(O)ccc2oc(CN3CCN(c4ccccc4)CC3)c(-c3ccccc3)c12- InChIKey
BQIVMMXLSDBMCJ-UHFFFAOYSA-N- Molecular formula
- C28H31N3O2
- Average molar mass
- 441.6 g/mol
- Monoisotopic mass
- 441.24162724
Names & identifiers
- Preferred name
- 5-Benzofuranol, 4-(dimethylaminomethyl)-3-phenyl-2-((4-phenyl-1-piperazinyl)methyl)-
- IUPAC
- 4-[(dimethylamino)methyl]-3-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1-benzofuran-5-ol
Names & synonyms
BRN 51673845-Benzofuranol, 4-(dimethylaminomethyl)-3-phenyl-2-((4-phenyl-1-piperazinyl)methyl)-74229-21-3DTXSID102252225-Hydroxy-4-dimethylaminomethyl-3-phenyl-2-(N-phenylpiperazinomethyl)benzofuranRefChem:301235DTXCID101477134-[(dimethylamino)methyl]-3-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1-benzofuran-5-ol
Database identifiers
- CAS
74229-21-3- PubChem CID
- 53005
- DTXSID
DTXSID10225222- Nikkaji
- J71.561A
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 596
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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