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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCCn2c1cc(OCCc1ccc(F)c(F)c1)nc2=O- InChIKey
YENANIFWAJMHTF-UHFFFAOYSA-N- Molecular formula
- C20H23F2N3O4
- Average molar mass
- 407.4 g/mol
- Monoisotopic mass
- 407.16566255
Names & identifiers
- Preferred name
- tert-butyl 8-(3,4-difluorophenethoxy)-6-oxo-2,3,4,6-tetrahydro-1H-pyrimido[1,6-a]pyrimidine-1-carboxylate
- IUPAC
- tert-butyl 8-[2-(3,4-difluorophenyl)ethoxy]-6-oxo-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidine-1-carboxylate
Names & synonyms
SCHEMBL14656145YENANIFWAJMHTF-UHFFFAOYSA-Ntert-butyl 8-(3,4-difluorophenethoxy)-6-oxo-2,3,4,6-tetrahydro-1H-pyrimido[1,6-a]pyrimidine-1-carboxylate
Database identifiers
- PubChem CID
- 71236601
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 704
Related reactions
1 records
Compound notes
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