Basic information
- CAS
5767-45-3- Standard SMILES
COc1cccc(CN2CCCN(Cc3cccc(OC)c3O)C2c2cccc(OC)c2O)c1O- InChIKey
PLODNVKRHCDZOL-UHFFFAOYSA-N- Molecular formula
- C27H32N2O6
- Average molar mass
- 480.6 g/mol
- Monoisotopic mass
- 480.22603674
Names & identifiers
- Preferred name
- 2,2'-{[2-(2-Hydroxy-3-methoxyphenyl)dihydropyrimidine-1,3(2H,4H)-diyl]bis(methylene)}bis(6-methoxyphenol)
- IUPAC
- 2-[[2-(2-hydroxy-3-methoxyphenyl)-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol
Names & synonyms
5767-45-3NSC86720DTXSID70329058NSC-867202,2'-{[2-(2-Hydroxy-3-methoxyphenyl)dihydropyrimidine-1,3(2H,4H)-diyl]bis(methylene)}bis(6-methoxyphenol)2,2'-{[2-(2-Hydroxy-3-methoxyphenyl)-1,3-diazinane-1,3-diyl]bis(methylene)}bis(6-methoxyphenol)
Database identifiers
- CAS
5767-45-3- PubChem CID
- 417112
- DTXSID
DTXSID70329058
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 603
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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