2,2'-[(2-Phenyl-1,3-diazinane-1,3-diyl)bis(methylene)]bis(6-methoxyphenol)
Basic information
- CAS
5740-55-6- Standard SMILES
COc1cccc(CN2CCCN(Cc3cccc(OC)c3O)C2c2ccccc2)c1O- InChIKey
MZRXGPMTSCONOS-UHFFFAOYSA-N- Molecular formula
- C26H30N2O4
- Average molar mass
- 434.5 g/mol
- Monoisotopic mass
- 434.22055744
Names & identifiers
- Preferred name
- 2,2'-[(2-Phenyl-1,3-diazinane-1,3-diyl)bis(methylene)]bis(6-methoxyphenol)
- IUPAC
- 2-[[3-[(2-hydroxy-3-methoxyphenyl)methyl]-2-phenyl-1,3-diazinan-1-yl]methyl]-6-methoxyphenol
Names & synonyms
NSC92000DTXSID20972891NSC-920002,2'-[(2-Phenyl-1,3-diazinane-1,3-diyl)bis(methylene)]bis(6-methoxyphenol)
Database identifiers
- CAS
5740-55-6- PubChem CID
- 417476
- DTXSID
DTXSID20972891
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 520
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Compound notes
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