N-[4-[(5,6-Dicyano-2-pyrazinyl)thio]phenyl]acetamide
Basic information
- CAS
77159-64-9- Standard SMILES
CC(=O)Nc1ccc(Sc2cnc(C#N)c(C#N)n2)cc1- InChIKey
ULLZKIRLKSZIQI-UHFFFAOYSA-N- Molecular formula
- C14H9N5OS
- Average molar mass
- 295.32 g/mol
- Monoisotopic mass
- 295.0527811
Names & identifiers
- Preferred name
- N-[4-[(5,6-Dicyano-2-pyrazinyl)thio]phenyl]acetamide
- IUPAC
- N-[4-(5,6-dicyanopyrazin-2-yl)sulfanylphenyl]acetamide
Names & synonyms
N-[4-[(5,6-Dicyano-2-pyrazinyl)thio]phenyl]acetamideDTXSID30121921977159-64-9N-{4-[(5,6-Dicyanopyrazin-2-yl)sulfanyl]phenyl}acetamide
Database identifiers
- CAS
77159-64-9- PubChem CID
- 12905971
- DTXSID
DTXSID301219219
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 470
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…