N'-[(1E)-[4-(diethylamino)-2-hydroxyphenyl]methylidene]-2-hydroxybenzohydrazide

• ChemBase ID: 54764
• Molecular Formular: C18H21N3O3
• Molecular Mass: 327.37764
• Monoisotopic Mass: 327.15829155
• SMILES: c1(C(=O)N/N=C/c2c(cc(N(CC)CC)cc2)O)c(O)cccc1
• Canonical SMILES: CCN(c1ccc(c(c1)O)/C=N/NC(=O)c1ccccc1O)CC
• InChI: InChI=1S/C18H21N3O3/c1-3-21(4-2)14-10-9-13(17(23)11-14)12-19-20-18(24)15-7-5-6-8-16(15)22/h5-12,22-23H,3-4H2,1-2H3,(H,20,24)/b19-12+
• InChIKey: FBNFORURTIUHBF-XDHOZWIPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-[(1E)-[4-(diethylamino)-2-hydroxyphenyl]methylidene]-2-hydroxybenzohydrazide
• IUPAC Traditional name: N'-[(1E)-[4-(diethylamino)-2-hydroxyphenyl]methylidene]-2-hydroxybenzohydrazide
• Synonyms: N'-[4-(Diethylamino)-2-hydroxybenzylidene]-2-hydroxybenzohydrazide

Database IDs

• MDL Number: MFCD00556745
• PubChem SID: 162059527
• PubChem CID: 5718431

CALCULATED PROPERTIES

• Acid pKa: 7.978718
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 3.5196295
• LogD (pH = 7.4): 3.7179234
• Log P: 3.827664
• Molar Refractivity: 96.1231 cm^3
• Polarizability: 35.03034 Å^3
• Polar Surface Area: 85.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false