1-(2-((4-Fluoroanilino)(oxo)acetyl)carbohydrazonoyl)-2-naphthyl 4-ethoxybenzoate
Basic information
- CAS
881467-36-3- Standard SMILES
CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1- InChIKey
RVHGOISVGQQAQE-OCSSWDANSA-N- Molecular formula
- C28H22FN3O5
- Average molar mass
- 499.5 g/mol
- Monoisotopic mass
- 499.15434897
Names & identifiers
- Preferred name
- 1-(2-((4-Fluoroanilino)(oxo)acetyl)carbohydrazonoyl)-2-naphthyl 4-ethoxybenzoate
- IUPAC
- [1-[(E)-[[2-(4-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
- English name
- 1-(2-((4-Fluoroanilino)(oxo)acetyl)carbohydrazonoyl)-2-naphthyl 4-ethoxybenzoate
- Molecular formula
- C28H22FN3O5
- Molecular weight
- 499.49
Names & synonyms
AKOS0244111221-(2-((4-FLUOROANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-ETHOXYBENZOATEBenzoic acid, 4-ethoxy-, 1-[[2-[2-[(4-fluorophenyl)amino]-2-oxoacetyl]hydrazinylidene]methyl]-2-naphthalenyl ester
Database identifiers
- CAS
881467-36-3- PubChem CID
- 9622352
- EC Number
- 130-833-6
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 808
Physicochemical properties
- Density
- 1.282 · 1.282±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.3 · 9.300±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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