Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)N2C=CNC(=O)C2CC(=O)Nc2ccc(CCCO)cc2)cc1- InChIKey
VGNDLPLMEBJQRI-UHFFFAOYSA-N- Molecular formula
- C22H25N3O5S
- Average molar mass
- 443.5 g/mol
- Monoisotopic mass
- 443.15149208
Names & identifiers
- Preferred name
- N-[4-(3-Hydroxy-propyl)-phenyl]-2-[3-oxo-1-(toluene-4-sulfonyl)-1,2,3,4-tetrahydro-pyrazin-2-yl]-acetamide
- IUPAC
- N-[4-(3-hydroxypropyl)phenyl]-2-[4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
Names & synonyms
SCHEMBL3536425VGNDLPLMEBJQRI-UHFFFAOYSA-NN-[4-(3-Hydroxy-propyl)-phenyl]-2-[3-oxo-1-(toluene-4-sulfonyl)-1,2,3,4-tetrahydro-pyrazin-2-yl]-acetamide
Database identifiers
- PubChem CID
- 68680705
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 748
Related reactions
2 records
Compound notes
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