4-[[5-[(2,5-Difluorophenyl)[(4-fluorophenyl)sulfonyl]methyl]-4-methylpyridin-2-yl]carbonyl]piperazin-2-one
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Basic information
- Standard SMILES
Cc1cc(C(=O)N2CCNC(=O)C2)ncc1C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(F)cc1- InChIKey
AHWLROOIGITMJW-UHFFFAOYSA-N- Molecular formula
- C24H20F3N3O4S
- Average molar mass
- 503.5 g/mol
- Monoisotopic mass
- 503.11266179
Names & identifiers
- Preferred name
- 4-[[5-[(2,5-Difluorophenyl)[(4-fluorophenyl)sulfonyl]methyl]-4-methylpyridin-2-yl]carbonyl]piperazin-2-one
- IUPAC
- 4-[5-[(2,5-difluorophenyl)-(4-fluorophenyl)sulfonylmethyl]-4-methylpyridine-2-carbonyl]piperazin-2-one
Names & synonyms
SCHEMBL596552AHWLROOIGITMJW-UHFFFAOYSA-N4-[[5-[(2,5-Difluorophenyl)[(4-fluorophenyl)sulfonyl]methyl]-4-methylpyridin-2-yl]carbonyl]piperazin-2-one
Database identifiers
- PubChem CID
- 57736469
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 878
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Related reactions
2 records
Compound notes
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