1-(2-(2-Hydroxybenzoyl)carbohydrazonoyl)-2-naphthyl 4-ethoxybenzoate

Substructure search Find similar structures

Basic information

CAS: 880059-01-8
Standard SMILES: CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccccc2O)cc1
InChIKey: QDRAHJAXYHOWPX-OGLMXYFKSA-N
Molecular formula: C27H22N2O5
Average molar mass: 454.5 g/mol
Monoisotopic mass: 454.15287181

Names & identifiers

Preferred name: 1-(2-(2-Hydroxybenzoyl)carbohydrazonoyl)-2-naphthyl 4-ethoxybenzoate
IUPAC: [1-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
English name: 1-(2-(2-Hydroxybenzoyl)carbohydrazonoyl)-2-naphthyl 4-ethoxybenzoate
Molecular formula: C27H22N2O5
Molecular weight: 454.47

Names & synonyms

AKOS0244111211-(2-(2-HYDROXYBENZOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-ETHOXYBENZOATEBenzoic acid, 2-hydroxy-, 2-[[2-[(4-ethoxybenzoyl)oxy]-1-naphthalenyl]methylene]hydrazide

Database identifiers

CAS: 880059-01-8
PubChem CID: 9608370
EC Number: 130-822-6

Properties

Computed structural properties

XLogP: 6
Topological polar surface area: 97.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 34
Formal charge: 0
Complexity: 705

Physicochemical properties

Density: 1.241 · 1.241±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka: 8.351 · 8.351±0.30(predicted)

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…