2-Thiophenecarboxylic acid, 2-[6,7-dihydro-3-methyl-2-[[[4-(2-phenyldiazenyl)phenyl]amino]carbonyl]-4(5H)-benzofuranylidene]hydrazide
Basic information
- CAS
889272-35-9- Standard SMILES
Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=NNC(=O)c1cccs1)CCC2- InChIKey
FBXFXEFSECCXDW-UHFFFAOYSA-N- Molecular formula
- C27H23N5O3S
- Average molar mass
- 497.6 g/mol
- Monoisotopic mass
- 497.15216079
Names & identifiers
- Preferred name
- 2-Thiophenecarboxylic acid, 2-[6,7-dihydro-3-methyl-2-[[[4-(2-phenyldiazenyl)phenyl]amino]carbonyl]-4(5H)-benzofuranylidene]hydrazide
- IUPAC
- 3-methyl-N-(4-phenyldiazenylphenyl)-4-(thiophene-2-carbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
Names & synonyms
DTXSID8010381892-Thiophenecarboxylic acid, 2-[6,7-dihydro-3-methyl-2-[[[4-(2-phenyldiazenyl)phenyl]amino]carbonyl]-4(5H)-benzofuranylidene]hydrazide889272-35-9
Database identifiers
- CAS
889272-35-9- PubChem CID
- 73546321
- DTXSID
DTXSID801038189
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 837
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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