2-Thiophenecarboxylic acid, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester
Basic information
- CAS
522625-51-0- Standard SMILES
O=C(COC(=O)c1cccs1)Nc1ccc(N=Nc2ccccc2)cc1- InChIKey
WTHLNRNZEQSNBL-UHFFFAOYSA-N- Molecular formula
- C19H15N3O3S
- Average molar mass
- 365.4 g/mol
- Monoisotopic mass
- 365.08341252
Names & identifiers
- Preferred name
- 2-Thiophenecarboxylic acid, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester
- IUPAC
- [2-oxo-2-(4-phenyldiazenylanilino)ethyl] thiophene-2-carboxylate
Names & synonyms
DTXSID101040911AKOS000859461AKOS0306420092-Thiophenecarboxylic acid, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester522625-51-0Z18451273
Database identifiers
- CAS
522625-51-0- PubChem CID
- 4597016
- DTXSID
DTXSID101040911
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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