N-[3-(2-fluorophenyl)propyl]-2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamide

• ChemBase ID: 491997
• Molecular Formular: C19H23FN4O3
• Molecular Mass: 374.4093232
• Monoisotopic Mass: 374.17541884
• SMILES: n1(c(=O)cc(cn1)N1CCOCC1)CC(=O)NCCCc1c(F)cccc1
• Canonical SMILES: O=C(Cn1ncc(cc1=O)N1CCOCC1)NCCCc1ccccc1F
• InChI: InChI=1S/C19H23FN4O3/c20-17-6-2-1-4-15(17)5-3-7-21-18(25)14-24-19(26)12-16(13-22-24)23-8-10-27-11-9-23/h1-2,4,6,12-13H,3,5,7-11,14H2,(H,21,25)
• InChIKey: NOFIQIMZOLBHSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-fluorophenyl)propyl]-2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamide
• IUPAC Traditional name: N-[3-(2-fluorophenyl)propyl]-2-[4-(morpholin-4-yl)-6-oxopyridazin-1-yl]acetamide
• Synonyms: N-[3-(2-fluorophenyl)propyl]-2-[4-(4-morpholinyl)-6-oxo-1(6H)-pyridazinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.704659
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.8789476
• LogD (pH = 7.4): 0.8789476
• Log P: 0.8789476
• Molar Refractivity: 100.6148 cm^3
• Polarizability: 37.274723 Å^3
• Polar Surface Area: 74.24 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: -0.05
• LOG S: -3.19
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 7