2-(2-((4-fluorobenzyl)thio)-6-oxo-1,6-dihydropyrimidin-4-yl)-N-(1-phenylethyl)acetamide
Basic information
- CAS
1172806-63-1- Standard SMILES
CC(NC(=O)Cc1cc(=O)[nH]c(SCc2ccc(F)cc2)n1)c1ccccc1- InChIKey
KCYQGXHWKXUIHY-UHFFFAOYSA-N- Molecular formula
- C21H20FN3O2S
- Average molar mass
- 397.5 g/mol
- Monoisotopic mass
- 397.12602622
Names & identifiers
- Preferred name
- 2-(2-((4-fluorobenzyl)thio)-6-oxo-1,6-dihydropyrimidin-4-yl)-N-(1-phenylethyl)acetamide
- IUPAC
- 2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]-N-(1-phenylethyl)acetamide
Names & synonyms
DTXSID401121653AKOS0050595802-(2-((4-fluorobenzyl)thio)-6-oxo-1,6-dihydropyrimidin-4-yl)-N-(1-phenylethyl)acetamide2-[[(4-Fluorophenyl)methyl]thio]-1,6-dihydro-6-oxo-N-(1-phenylethyl)-4-pyrimidineacetamide1172806-63-12-(2-{[(4-Fluorophenyl)methyl]sulfanyl}-6-oxo-3,6-dihydropyrimidin-4-yl)-N-(1-phenylethyl)acetamide
Database identifiers
- CAS
1172806-63-1- PubChem CID
- 136165136
- DTXSID
DTXSID401121653
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 623
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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