6-(4-Chlorophenyl)-4-oxothieno[3,2-d]pyrimidine-3(4H)-propanenitrile
Basic information
- CAS
1223405-17-1- Standard SMILES
N#CCCn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O- InChIKey
JQHIWUZTWOZSJM-UHFFFAOYSA-N- Molecular formula
- C15H10ClN3OS
- Average molar mass
- 315.8 g/mol
- Monoisotopic mass
- 315.0233108
Names & identifiers
- Preferred name
- 6-(4-Chlorophenyl)-4-oxothieno[3,2-d]pyrimidine-3(4H)-propanenitrile
- IUPAC
- 3-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]propanenitrile
Names & synonyms
DTXSID501158279AKOS0345071741223405-17-1Z647674286-(4-Chlorophenyl)-4-oxothieno[3,2-d]pyrimidine-3(4H)-propanenitrile3-[6-(4-Chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]propanenitrile
Database identifiers
- CAS
1223405-17-1- PubChem CID
- 32607232
- DTXSID
DTXSID501158279
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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