Basic information
- CAS
85826-20-6- Standard SMILES
COc1nc(Oc2ccc(C(=O)OCCN(C)C)cc2)nc(Oc2ccc(C(=O)OCCN(C)C)cc2)n1- InChIKey
YALULGVZZUWNMP-UHFFFAOYSA-N- Molecular formula
- C26H31N5O7
- Average molar mass
- 525.6 g/mol
- Monoisotopic mass
- 525.22234834
Names & identifiers
- Preferred name
- Benzoic acid, 4,4'-((6-methoxy-1,3,5-triazine-2,4-diyl)bis(oxy))bis-, bis(2-(dimethylamino)ethyl) ester
- IUPAC
- 2-(dimethylamino)ethyl 4-[[4-[4-[2-(dimethylamino)ethoxycarbonyl]phenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate
Names & synonyms
85826-20-6Benzoic acid, 4,4'-((6-methoxy-1,3,5-triazine-2,4-diyl)bis(oxy))bis-, bis(2-(dimethylamino)ethyl) esterDTXSID90235102RefChem:327255DTXCID50157593Bis[2-(dimethylamino)ethyl] 4,4'-[(6-methoxy-1,3,5-triazine-2,4-diyl)bis(oxy)]dibenzoate
Database identifiers
- CAS
85826-20-6- PubChem CID
- 55403
- DTXSID
DTXSID90235102
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 15
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 656
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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