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Basic information
- Standard SMILES
N#CC1(c2cccc(Sc3ccc4c(ccc5nnc(-c6ccc(F)cc6)n54)c3)c2)CCOCC1- InChIKey
OKEUVYKNUJWHNX-UHFFFAOYSA-N- Molecular formula
- C28H21FN4OS
- Average molar mass
- 480.6 g/mol
- Monoisotopic mass
- 480.14201064
Names & identifiers
- Preferred name
- 4-{3-[1-(4-Fluoro-phenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ylsulfanyl]-phenyl}-tetrahydro-pyran-4-carbonitrile
- IUPAC
- 4-[3-[[1-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]sulfanyl]phenyl]oxane-4-carbonitrile
Names & synonyms
SCHEMBL1599189OKEUVYKNUJWHNX-UHFFFAOYSA-N4-{3-[1-(4-Fluoro-phenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ylsulfanyl]-phenyl}-tetrahydro-pyran-4-carbonitrile
Database identifiers
- PubChem CID
- 67090991
Properties
Computed structural propertiesFilling in
- XLogP
- 6.2
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 776
Related reactions
1 records
Compound notes
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