Methyl 4-{[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy}benzoate
Basic information
- CAS
332373-68-9- Standard SMILES
CCNc1nc(NCC)nc(Oc2ccc(C(=O)OC)cc2)n1- InChIKey
SBXKTIHLCIHDHX-UHFFFAOYSA-N- Molecular formula
- C15H19N5O3
- Average molar mass
- 317.34 g/mol
- Monoisotopic mass
- 317.14878949
Names & identifiers
- Preferred name
- Methyl 4-{[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy}benzoate
- IUPAC
- methyl 4-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
Names & synonyms
332373-68-9methyl 4-{[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy}benzoatemethyl 4-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]benzoateZINC182390Methyl 4-((4,6-bis(ethylamino)-1,3,5-triazin-2-yl)oxy)benzoateCBMicro_041655ChemDiv1_003236Oprea1_337512Oprea1_852885MLS000678215CHEMBL2136741HMS596D02
Show more names
DTXSID401331371HMS2774F05MFCD01852324STK021705ZINC00182390AKOS000510296SMR000285221BIM-0041618.P001
Database identifiers
- CAS
332373-68-9- PubChem CID
- 742833
- DTXSID
DTXSID401331371- ChEMBL
CHEMBL2136741
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 98.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 349
Experimental & physicochemical properties
Solubility2.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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