N-(2,4-di-tert-butyl-5-hydroxyphenyl)-7-ethyl-4-oxo-1,4-dihydropyrrolo[1,2-a]pyrimidine-3-carboxamide
Basic information
- Standard SMILES
CCc1cc2[nH]cc(C(=O)Nc3cc(O)c(C(C)(C)C)cc3C(C)(C)C)c(=O)n2c1- InChIKey
KTEBEMMMLNIPHB-UHFFFAOYSA-N- Molecular formula
- C24H31N3O3
- Average molar mass
- 409.5 g/mol
- Monoisotopic mass
- 409.23654186
Names & identifiers
- Preferred name
- N-(2,4-di-tert-butyl-5-hydroxyphenyl)-7-ethyl-4-oxo-1,4-dihydropyrrolo[1,2-a]pyrimidine-3-carboxamide
- IUPAC
- N-(2,4-ditert-butyl-5-hydroxyphenyl)-7-ethyl-4-oxo-1H-pyrrolo[1,2-a]pyrimidine-3-carboxamide
Names & synonyms
SCHEMBL964568KTEBEMMMLNIPHB-UHFFFAOYSA-NN-(2,4-di-tert-butyl-5-hydroxyphenyl)-7-ethyl-4-oxo-1,4-dihydropyrrolo[1,2-a]pyrimidine-3-carboxamide
Database identifiers
- PubChem CID
- 42642292
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 703
Related reactions
3 records
Compound notes
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