Basic information
- CAS
5913-52-0- Standard SMILES
N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)CC1c1ccc(F)cc1- InChIKey
OSWWQGLCPRWGFI-UHFFFAOYSA-N- Molecular formula
- C20H16FN3O2S
- Average molar mass
- 381.4 g/mol
- Monoisotopic mass
- 381.09472597
Names & identifiers
- Preferred name
- 2-{[3-cyano-4-(4-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-phenylacetamide
- IUPAC
- 2-[[5-cyano-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide
Names & synonyms
CDS1_0050062-{[3-cyano-4-(4-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-phenylacetamide5913-52-02-[[5-cyano-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamideCBMicro_036750Cambridge id 5913520Oprea1_347326Oprea1_763664DivK1c_006046DTXSID90386885STK860653AKOS000526573
Show more names
AKOS016877050BIM-0036733.P001AB00100575-01AG-690/12888626SR-01000427332SR-01000427332-1Z567934732-((3-cyano-4-(4-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-phenylacetamide
Database identifiers
- CAS
5913-52-0- PubChem CID
- 2876005
- DTXSID
DTXSID90386885
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 643
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…