Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 2-[6,7-dihydro-3-methyl-2-[[[4-(2-phenyldiazenyl)phenyl]amino]carbonyl]-4(5H)-benzofuranylidene]hydrazide
Basic information
- CAS
890011-12-8- Standard SMILES
Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2- InChIKey
MKXVOKRJBCBLIC-UHFFFAOYSA-N- Molecular formula
- C26H20F7N5O3
- Average molar mass
- 583.5 g/mol
- Monoisotopic mass
- 583.14543665
Names & identifiers
- Preferred name
- Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 2-[6,7-dihydro-3-methyl-2-[[[4-(2-phenyldiazenyl)phenyl]amino]carbonyl]-4(5H)-benzofuranylidene]hydrazide
- IUPAC
- 4-(2,2,3,3,4,4,4-heptafluorobutanoylhydrazinylidene)-3-methyl-N-(4-phenyldiazenylphenyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
Names & synonyms
DTXSID801039406890011-12-8Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 2-[6,7-dihydro-3-methyl-2-[[[4-(2-phenyldiazenyl)phenyl]amino]carbonyl]-4(5H)-benzofuranylidene]hydrazide
Database identifiers
- CAS
890011-12-8- PubChem CID
- 73545987
- DTXSID
DTXSID801039406
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 7
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,010
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Compound notes
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