Benzoic acid, 4,4'-((6-(diethylamino)-1,3,5-triazine-2,4-diyl)bis(oxy))bis-, bis(3-(diethylamino)-1,2-dimethylpropyl) ester
Basic information
- CAS
85826-16-0- Standard SMILES
CCN(CC)CC(C)C(C)OC(=O)c1ccc(Oc2nc(Oc3ccc(C(=O)OC(C)C(C)CN(CC)CC)cc3)nc(N(CC)CC)n2)cc1- InChIKey
RGKYTVAIVLCZPZ-UHFFFAOYSA-N- Molecular formula
- C39H58N6O6
- Average molar mass
- 706.9 g/mol
- Monoisotopic mass
- 706.44178359
Names & identifiers
- Preferred name
- Benzoic acid, 4,4'-((6-(diethylamino)-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-(diethylamino)-6-[4-[4-(diethylamino)-3-methylbutan-2-yl]oxycarbonylphenoxy]-1,3,5-triazin-2-yl]oxy]benzoate
Names & synonyms
85826-16-0Benzoic acid, 4,4'-((6-(diethylamino)-1,3,5-triazine-2,4-diyl)bis(oxy))bis-, bis(3-(diethylamino)-1,2-dimethylpropyl) esterRefChem:327251DTXSID501006400bis[4-(diethylamino)-3-methylbutan-2-yl] 4,4'-{[6-(diethylamino)-1,3,5-triazine-2,4-diyl]bis(oxy)}dibenzoate
Database identifiers
- CAS
85826-16-0- PubChem CID
- 55400
- DTXSID
DTXSID501006400
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 23
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 911
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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