Basic information
- CAS
5740-57-8- Standard SMILES
COc1cccc(CN2CCCN(Cc3cccc(OC)c3O)C2c2cccc(OC)c2OC)c1O- InChIKey
TVRWCPMIPLMPIG-UHFFFAOYSA-N- Molecular formula
- C28H34N2O6
- Average molar mass
- 494.6 g/mol
- Monoisotopic mass
- 494.24168681
Names & identifiers
- Preferred name
- 2-[[2-(2,3-Dimethoxyphenyl)-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol
- IUPAC
- 2-[[2-(2,3-dimethoxyphenyl)-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol
Names & synonyms
NSC867235740-57-8DTXSID00329061NSC-867232,2'-{[2-(2,3-Dimethoxyphenyl)-1,3-diazinane-1,3-diyl]bis(methylene)}bis(6-methoxyphenol)
Database identifiers
- CAS
5740-57-8- PubChem CID
- 417115
- DTXSID
DTXSID00329061
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 618
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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