1-(2-(((3-Bromobenzoyl)amino)AC)carbohydrazonoyl)-2-naphthyl 4-ethoxybenzoate
Basic information
- CAS
868607-75-4- Standard SMILES
CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2cccc(Br)c2)cc1- InChIKey
QHLKQYMBXIUHMJ-VTNSRFBWSA-N- Molecular formula
- C29H24BrN3O5
- Average molar mass
- 574.4 g/mol
- Monoisotopic mass
- 573.08993
Names & identifiers
- Preferred name
- 1-(2-(((3-Bromobenzoyl)amino)AC)carbohydrazonoyl)-2-naphthyl 4-ethoxybenzoate
- IUPAC
- [1-[(E)-[[2-[(3-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
- English name
- 1-(2-(((3-Bromobenzoyl)amino)Ac)carbohydrazonoyl)-2-naphthyl 4-ethoxybenzoate
- Molecular formula
- C29H24BrN3O5
- Molecular weight
- 574.42
Names & synonyms
AKOS0244142811-(2-(((3-BROMOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-ETHOXYBENZOATEBenzoic acid, 4-ethoxy-, 1-[[2-[2-[(3-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-naphthalenyl ester
Database identifiers
- CAS
868607-75-4- PubChem CID
- 9633809
- EC Number
- 136-837-4
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 831
Physicochemical properties
- Density
- 1.383 · 1.383±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.449 · 11.449±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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