CID 4363370
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Basic information
- CAS
508187-43-7- Standard SMILES
CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)SC(=Cc2ccc(N(CC)CC)cc2)C1=O- InChIKey
IDAIDJNSYDOPKJ-UHFFFAOYSA-N- Molecular formula
- C26H28N2O4S
- Average molar mass
- 464.6 g/mol
Names & identifiers
- Preferred name
- CID 4363370
- IUPAC
- ethyl 5-[[4-(diethylamino)phenyl]methylidene]-2-[(4-methylbenzoyl)amino]-4-oxothiophene-3-carboxylate
- English name
- ethyl 5-[4-(diethylamino)benzylidene]-2-[(4-methylbenzoyl)amino]-4-oxo-4,5-dihydro-3-thiophenecarboxylate
- Molecular formula
- C26H28N2O4S
- Molecular weight
- 464.58
Names & synonyms
ethyl 5-[4-(diethylamino)benzylidene]-2-[(4-methylbenzoyl)amino]-4-oxo-4,5-dihydro-3-thiophenecarboxylate
Database identifiers
- CAS
508187-43-7
Properties
Computed structural propertiesFilling in
- XLogP
- 6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 786
Physicochemical properties
- Boiling point
- 690.498 · 690.498±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.259 · 1.259±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.314 · 10.314±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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