N-[4-(furan-2-yl)butan-2-yl]-2-[6-oxo-4-(piperidin-1-yl)-1,6-dihydropyridazin-1-yl]acetamide

• ChemBase ID: 782982
• Molecular Formular: C19H26N4O3
• Molecular Mass: 358.43474
• Monoisotopic Mass: 358.20049071
• SMILES: n1(c(=O)cc(cn1)N1CCCCC1)CC(=O)NC(CCc1occc1)C
• Canonical SMILES: CC(NC(=O)Cn1ncc(cc1=O)N1CCCCC1)CCc1ccco1
• InChI: InChI=1S/C19H26N4O3/c1-15(7-8-17-6-5-11-26-17)21-18(24)14-23-19(25)12-16(13-20-23)22-9-3-2-4-10-22/h5-6,11-13,15H,2-4,7-10,14H2,1H3,(H,21,24)
• InChIKey: DXXDPBYBPNSXGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(furan-2-yl)butan-2-yl]-2-[6-oxo-4-(piperidin-1-yl)-1,6-dihydropyridazin-1-yl]acetamide
• IUPAC Traditional name: N-[4-(furan-2-yl)butan-2-yl]-2-[6-oxo-4-(piperidin-1-yl)pyridazin-1-yl]acetamide
• Synonyms: N-[3-(2-furyl)-1-methylpropyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1(6H)-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.894
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1260264
• LogD (pH = 7.4): 1.1260265
• Log P: 1.1260265
• Molar Refractivity: 100.4296 cm^3
• Polarizability: 37.42776 Å^3
• Polar Surface Area: 78.15 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.83
• LOG S: -2.52
• Polar Surface Area: 80.37 Å^2
• Rotatable Bonds: 7