Benzoic acid, 4,4'-((6-methoxy-1,3,5-triazine-2,4-diyl)bis(oxy))bis-, bis(3-(diethylamino)-1,2-dimethylpropyl) ester
Basic information
- CAS
85826-22-8- Standard SMILES
CCN(CC)CC(C)C(C)OC(=O)c1ccc(Oc2nc(OC)nc(Oc3ccc(C(=O)OC(C)C(C)CN(CC)CC)cc3)n2)cc1- InChIKey
SYRSXPRQMXPVNW-UHFFFAOYSA-N- Molecular formula
- C36H51N5O7
- Average molar mass
- 665.8 g/mol
- Monoisotopic mass
- 665.37884898
Names & identifiers
- Preferred name
- Benzoic acid, 4,4'-((6-methoxy-1,3,5-triazine-2,4-diyl)bis(oxy))bis-, bis(3-(diethylamino)-1,2-dimethylpropyl) ester
- IUPAC
- [4-(diethylamino)-3-methylbutan-2-yl] 4-[[4-[4-[4-(diethylamino)-3-methylbutan-2-yl]oxycarbonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate
Names & synonyms
85826-22-8Benzoic acid, 4,4'-((6-methoxy-1,3,5-triazine-2,4-diyl)bis(oxy))bis-, bis(3-(diethylamino)-1,2-dimethylpropyl) esterRefChem:327256DTXSID901006402Bis[4-(diethylamino)-3-methylbutan-2-yl] 4,4'-[(6-methoxy-1,3,5-triazine-2,4-diyl)bis(oxy)]dibenzoate
Database identifiers
- CAS
85826-22-8- PubChem CID
- 55405
- DTXSID
DTXSID901006402
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 21
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 852
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Compound notes
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