2-{1,3-Bis[(3,4-dimethoxyphenyl)methyl]hexahydropyrimidin-2-yl}-6-methoxyphenol
Basic information
- CAS
5767-51-1- Standard SMILES
COc1ccc(CN2CCCN(Cc3ccc(OC)c(OC)c3)C2c2cccc(OC)c2O)cc1OC- InChIKey
UCPWCZAVOHQBNL-UHFFFAOYSA-N- Molecular formula
- C29H36N2O6
- Average molar mass
- 508.6 g/mol
- Monoisotopic mass
- 508.25733687
Names & identifiers
- Preferred name
- 2-{1,3-Bis[(3,4-dimethoxyphenyl)methyl]hexahydropyrimidin-2-yl}-6-methoxyphenol
- IUPAC
- 2-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-6-methoxyphenol
Names & synonyms
5767-51-1NSC87180DTXSID00329066NSC-871802-{1,3-Bis[(3,4-dimethoxyphenyl)methyl]hexahydropyrimidin-2-yl}-6-methoxyphenol2-{1,3-Bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl}-6-methoxyphenol
Database identifiers
- CAS
5767-51-1- PubChem CID
- 417154
- DTXSID
DTXSID00329066
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 630
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…