Basic information
- Standard SMILES
CC(=O)Nc1ccc(-c2c(C#N)c(N)nc(SCc3ccccn3)c2C#N)cc1- InChIKey
RCMQCWAOEHPVPT-UHFFFAOYSA-N- Molecular formula
- C21H16N6OS
- Average molar mass
- 400.5 g/mol
Names & identifiers
- Preferred name
- N-(4-{2-Amino-3,5-dicyano-6-[(2-pyridinylmethyl)sulphanyl]-4-pyridinyl}-phenyl)acetamide
- IUPAC
- N-[4-[2-amino-3,5-dicyano-6-(pyridin-2-ylmethylsulfanyl)-4-pyridinyl]phenyl]acetamide
Names & synonyms
SCHEMBL5226020RCMQCWAOEHPVPT-UHFFFAOYSA-NL022065N-(4-{2-Amino-3,5-dicyano-6-[(2-pyridinylmethyl)sulphanyl]-4-pyridinyl}-phenyl)acetamide
Database identifiers
- PubChem CID
- 9865716
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 661
Related reactions
2 records
Compound notes
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