1-(1,1'-Biphenyl)-4-yl-3-(2-pyrimidinylthio)-2,5-pyrrolidinedione
Basic information
- CAS
374916-12-8- Standard SMILES
O=C1CC(Sc2ncccn2)C(=O)N1c1ccc(-c2ccccc2)cc1- InChIKey
VNTSUERNLXEFOT-UHFFFAOYSA-N- Molecular formula
- C20H15N3O2S
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 361.0884979
Names & identifiers
- Preferred name
- 1-(1,1'-Biphenyl)-4-yl-3-(2-pyrimidinylthio)-2,5-pyrrolidinedione
- IUPAC
- 1-(4-phenylphenyl)-3-pyrimidin-2-ylsulfanylpyrrolidine-2,5-dione
- English name
- 1-(biphenyl-4-yl)-3-(pyrimidin-2-ylsulfanyl)pyrrolidine-2,5-dione
- Molecular formula
- C20H15N3O2S
- Molecular weight
- 361.42
Names & synonyms
374916-12-81-[1,1'-Biphenyl]-4-yl-3-(2-pyrimidinylthio)-2,5-pyrrolidinedione1-(1,1'-Biphenyl)-4-yl-3-(2-pyrimidinylthio)-2,5-pyrrolidinedioneRefChem:2222071-(biphenyl-4-yl)-3-(pyrimidin-2-ylsulfanyl)pyrrolidine-2,5-dioneOprea1_624929Oprea1_8387591-([1,1'-Biphenyl]-4-yl)-3-[(pyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dioneDTXSID3011698841-(4-phenylphenyl)-3-pyrimidin-2-ylsulfanylpyrrolidine-2,5-dioneMFCD02235111STK049530
Show more names
2,5-Pyrrolidinedione, 1-[1,1'-biphenyl]-4-yl-3-(2-pyrimidinylthio)-
AKOS000625782AKOS016301509ZINC000000642807ZINC000100115209ST50104718O=C1CC(C(=O)N1c1ccc(cc1)c1ccccc1)Sc1ncccn1AO-567/406468321((11biphenyl)4yl)3(pyrimidin2ylthio)pyrrolidine25dione
Database identifiers
- CAS
374916-12-8- PubChem CID
- 2901372
- DTXSID
DTXSID301169884
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 509
Physicochemical properties
- Boiling point
- 666.4 · 666.4±55.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- -0.43 · -0.43±0.33(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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