Basic information
- CAS
5767-46-4- Standard SMILES
COc1cccc(CN2CCCN(Cc3cccc(OC)c3O)C2c2ccc(N(C)C)cc2)c1O- InChIKey
CHQKSQWRCAPRJA-UHFFFAOYSA-N- Molecular formula
- C28H35N3O4
- Average molar mass
- 477.6 g/mol
- Monoisotopic mass
- 477.26275661
Names & identifiers
- Preferred name
- 2-[[2-[4-(Dimethylamino)phenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol
- IUPAC
- 2-[[2-[4-(dimethylamino)phenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol
Names & synonyms
5767-46-4NSC87177DTXSID80973268NSC-871772,2'-[{2-[4-(Dimethylamino)phenyl]-1,3-diazinane-1,3-diyl}bis(methylene)]bis(6-methoxyphenol)
Database identifiers
- CAS
5767-46-4- PubChem CID
- 417152
- DTXSID
DTXSID80973268
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 68.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 591
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…