1,2,4-Triazine-2(3H)-acetic acid, 5,6-bis(4-hydroxyphenyl)-alpha-methyl-3-oxo-, ethyl ester
Basic information
- CAS
108734-79-8- Standard SMILES
CCOC(=O)C(C)n1nc(-c2ccc(O)cc2)c(-c2ccc(O)cc2)nc1=O- InChIKey
BRCJKUKLWRLIGH-UHFFFAOYSA-N- Molecular formula
- C20H19N3O5
- Average molar mass
- 381.4 g/mol
- Monoisotopic mass
- 381.13247072
Names & identifiers
- Preferred name
- 1,2,4-Triazine-2(3H)-acetic acid, 5,6-bis(4-hydroxyphenyl)-alpha-methyl-3-oxo-, ethyl ester
- IUPAC
- ethyl 2-[5,6-bis(4-hydroxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanoate
Names & synonyms
Ethyl 5,6-bis(4-hydroxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate108734-79-82-(1-Ethoxycarbonyl-1-ethyl)-3-oxo-5,6-di(parahydroxyphenyl)-as-triazine1,2,4-Triazine-2(3H)-acetic acid, 5,6-bis(4-hydroxyphenyl)-alpha-methyl-3-oxo-, ethyl esterRefChem:215043DTXSID50910842Ethyl 2-[3-hydroxy-5,6-bis(4-oxocyclohexa-2,5-dien-1-ylidene)-5,6-dihydro-1,2,4-triazin-2(1H)-yl]propanoate
Database identifiers
- CAS
108734-79-8- PubChem CID
- 3065744
- DTXSID
DTXSID50910842
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 646
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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