Basic information
- CAS
625374-94-9- Standard SMILES
N#Cc1c(-c2ccc(F)cc2)cc(-c2cccs2)nc1SCCCOc1ccccc1- InChIKey
ASLFHBQSIIUGEU-UHFFFAOYSA-N- Molecular formula
- C25H19FN2OS2
- Average molar mass
- 446.6 g/mol
- Monoisotopic mass
- 446.09228374
Names & identifiers
- Preferred name
- 4-(4-Fluorophenyl)-2-[(3-phenoxypropyl)sulfanyl]-6-(2-thienyl)nicotinonitrile
- IUPAC
- 4-(4-fluorophenyl)-2-(3-phenoxypropylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile
- English name
- 4-(4-fluorophenyl)-2-[(3-phenoxypropyl)sulfanyl]-6-(2-thienyl)nicotinonitrile
- Molecular formula
- C25H19FN2OS2
- Molecular weight
- 446.5595632
Names & synonyms
4-(4-fluorophenyl)-2-[(3-phenoxypropyl)sulfanyl]-6-(2-thienyl)nicotinonitrileAM-807/410624914-(4-fluorophenyl)-2-(3-phenoxypropylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile
Database identifiers
- CAS
625374-94-9- PubChem CID
- 4481928
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 99.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 585
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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