Pyrazinecarboxamide, N-(1-hydroxy-2-(4-((3-methylbutyl)thio)phenyl)-2-oxoethyl)-
Basic information
- CAS
53140-58-2- Standard SMILES
CC(C)CCSc1ccc(C(=O)C(O)NC(=O)c2cnccn2)cc1- InChIKey
SBSZECNGISDGHX-UHFFFAOYSA-N- Molecular formula
- C18H21N3O3S
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.13036271
Names & identifiers
- Preferred name
- Pyrazinecarboxamide, N-(1-hydroxy-2-(4-((3-methylbutyl)thio)phenyl)-2-oxoethyl)-
- IUPAC
- N-[1-hydroxy-2-[4-(3-methylbutylsulfanyl)phenyl]-2-oxoethyl]pyrazine-2-carboxamide
Names & synonyms
BRN 08479524-Isopentylphenylglyoxal-N-pyrazinamido hemiacetalN-(1-Hydroxy-2-(4-((3-methylbutyl)thio)phenyl)-2-oxoethyl)pyrazinecarboxamide53140-58-2Pyrazinecarboxamide, N-(1-hydroxy-2-(4-((3-methylbutyl)thio)phenyl)-2-oxoethyl)-RefChem:375939DTXSID20967661N-(1-Hydroxy-2-{4-[(3-methylbutyl)sulfanyl]phenyl}-2-oxoethyl)pyrazine-2-carboximidic acid
Database identifiers
- CAS
53140-58-2- PubChem CID
- 3040947
- DTXSID
DTXSID20967661
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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