Ethyl 4-[[4-(4-ethylphenyl)sulfonylimino-1-oxonaphthalen-2-yl]amino]benzoate
Basic information
- CAS
518300-77-1- Standard SMILES
CCOC(=O)c1ccc(NC2=CC(=NS(=O)(=O)c3ccc(CC)cc3)c3ccccc3C2=O)cc1- InChIKey
MSNNODFKCCTJOS-UHFFFAOYSA-N- Molecular formula
- C27H24N2O5S
- Average molar mass
- 488.6 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-[[4-(4-ethylphenyl)sulfonylimino-1-oxonaphthalen-2-yl]amino]benzoate
- IUPAC
- ethyl 4-[[4-(4-ethylphenyl)sulfonylimino-1-oxonaphthalen-2-yl]amino]benzoate
- English name
- ethyl 4-[(4-{[(4-ethylphenyl)sulfonyl]imino}-1-oxo-1,4-dihydro-2-naphthalenyl)amino]benzoate
- Molecular formula
- C27H24N2O5S
- Molecular weight
- 488.56
Names & synonyms
ethyl 4-[(4-{[(4-ethylphenyl)sulfonyl]imino}-1-oxo-1,4-dihydro-2-naphthalenyl)amino]benzoate
Database identifiers
- CAS
518300-77-1
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 935
Physicochemical properties
- Boiling point
- 652.636 · 652.636±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.28 · 1.280±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -4.312 · -4.312±0.20(predicted)
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Compound notes
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