N-[3-(furan-2-amido)-4-methoxyphenyl]-6-oxo-1,6-dihydropyridazine-3-carboxamide

• ChemBase ID: 431033
• Molecular Formular: C17H14N4O5
• Molecular Mass: 354.31686
• Monoisotopic Mass: 354.09641957
• SMILES: c1(n[nH]c(=O)cc1)C(=O)Nc1cc(NC(=O)c2occc2)c(cc1)OC
• Canonical SMILES: COc1ccc(cc1NC(=O)c1ccco1)NC(=O)c1ccc(=O)[nH]n1
• InChI: InChI=1S/C17H14N4O5/c1-25-13-6-4-10(18-16(23)11-5-7-15(22)21-20-11)9-12(13)19-17(24)14-3-2-8-26-14/h2-9H,1H3,(H,18,23)(H,19,24)(H,21,22)
• InChIKey: QDWBVQQSKVAOTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(furan-2-amido)-4-methoxyphenyl]-6-oxo-1,6-dihydropyridazine-3-carboxamide
• IUPAC Traditional name: N-[3-(furan-2-amido)-4-methoxyphenyl]-6-oxo-1H-pyridazine-3-carboxamide
• Synonyms: N-[3-(2-furoylamino)-4-methoxyphenyl]-6-oxo-1,6-dihydropyridazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.1118145
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 1.0914491
• LogD (pH = 7.4): 1.0907027
• Log P: 1.0914586
• Molar Refractivity: 94.8972 cm^3
• Polarizability: 33.817623 Å^3
• Polar Surface Area: 122.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 3
• Log P: -0.73
• LOG S: -2.47
• Polar Surface Area: 126.32 Å^2
• Rotatable Bonds: 5