N'-[(1E)-(3,4-dihydroxyphenyl)methylidene]-3-hydroxynaphthalene-2-carbohydrazide

• ChemBase ID: 313063
• Molecular Formular: C18H14N2O4
• Molecular Mass: 322.31476
• Monoisotopic Mass: 322.09535694
• SMILES: c1(c(cc(cc1)/C=N/NC(=O)c1c(cc2c(c1)cccc2)O)O)O
• Canonical SMILES: O=C(c1cc2ccccc2cc1O)N/N=C/c1ccc(c(c1)O)O
• InChI: InChI=1S/C18H14N2O4/c21-15-6-5-11(7-17(15)23)10-19-20-18(24)14-8-12-3-1-2-4-13(12)9-16(14)22/h1-10,21-23H,(H,20,24)/b19-10+
• InChIKey: SYNDQCRDGGCQRZ-VXLYETTFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-[(1E)-(3,4-dihydroxyphenyl)methylidene]-3-hydroxynaphthalene-2-carbohydrazide
• IUPAC Traditional name: N'-[(1E)-(3,4-dihydroxyphenyl)methylidene]-3-hydroxynaphthalene-2-carbohydrazide
• Synonyms: Dynasore

Database IDs

• CAS Number: 304448-55-3

CALCULATED PROPERTIES

• Acid pKa: 7.7744646
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): 3.6895907
• LogD (pH = 7.4): 3.537204
• Log P: 3.6919155
• Molar Refractivity: 90.6284 cm^3
• Polarizability: 34.62426 Å^3
• Polar Surface Area: 102.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: Dynamin

Product Information

• Salt Data: Free Base