N'-(6-chloropyridazin-3-yl)-2,6-dimethoxy-N'-methylbenzohydrazide

• ChemBase ID: 79147
• Molecular Formular: C14H15ClN4O3
• Molecular Mass: 322.7469
• Monoisotopic Mass: 322.08326804
• SMILES: O(c1c(c(ccc1)OC)C(=O)NN(c1ccc(nn1)Cl)C)C
• Canonical SMILES: COc1cccc(c1C(=O)NN(c1ccc(nn1)Cl)C)OC
• InChI: InChI=1S/C14H15ClN4O3/c1-19(12-8-7-11(15)16-17-12)18-14(20)13-9(21-2)5-4-6-10(13)22-3/h4-8H,1-3H3,(H,18,20)
• InChIKey: KLVZVZDJQMCHAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(6-chloropyridazin-3-yl)-2,6-dimethoxy-N'-methylbenzohydrazide
• IUPAC Traditional name: N'-(6-chloropyridazin-3-yl)-2,6-dimethoxy-N'-methylbenzohydrazide
• Synonyms: N'-(6-Chloropyridazin-3-yl)-2,6-dimethoxy-N'-methylbenzohydrazide; 2,6-Dimethoxybenzoic acid N'-(6-chloropyridazin-3-yl)-N'-methylhydrazide

Database IDs

• MDL Number: MFCD00275177
• PubChem SID: 162043910
• PubChem CID: 6409786

CALCULATED PROPERTIES

• Acid pKa: 12.281164
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.8788955
• LogD (pH = 7.4): 1.8788947
• Log P: 1.8788998
• Molar Refractivity: 95.4347 cm^3
• Polarizability: 31.024641 Å^3
• Polar Surface Area: 76.58 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful