Basic information
- CAS
85826-21-7- Standard SMILES
CCN(CC)CCOC(=O)c1ccc(Oc2nc(OC)nc(Oc3ccc(C(=O)OCCN(CC)CC)cc3)n2)cc1- InChIKey
IBVJJXNUVGRLAB-UHFFFAOYSA-N- Molecular formula
- C30H39N5O7
- Average molar mass
- 581.7 g/mol
- Monoisotopic mass
- 581.2849486
Names & identifiers
- Preferred name
- Benzoic acid, 4,4'-((6-methoxy-1,3,5-triazine-2,4-diyl)bis(oxy))bis-, bis(2-(diethylamino)ethyl) ester
- IUPAC
- 2-(diethylamino)ethyl 4-[[4-[4-[2-(diethylamino)ethoxycarbonyl]phenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate
Names & synonyms
85826-21-7Benzoic acid, 4,4'-((6-methoxy-1,3,5-triazine-2,4-diyl)bis(oxy))bis-, bis(2-(diethylamino)ethyl) esterDTXSID50235103RefChem:327254DTXCID10157594Bis[2-(diethylamino)ethyl] 4,4'-[(6-methoxy-1,3,5-triazine-2,4-diyl)bis(oxy)]dibenzoate
Database identifiers
- CAS
85826-21-7- PubChem CID
- 55404
- DTXSID
DTXSID50235103
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 19
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 709
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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