N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamide

• ChemBase ID: 858221
• Molecular Formular: C19H22N4O4
• Molecular Mass: 370.40238
• Monoisotopic Mass: 370.1641052
• SMILES: n1(c(=O)cc(cn1)N1CCOCC1)CC(=O)Nc1cc2c(OC(C2)C)cc1
• Canonical SMILES: O=C(Cn1ncc(cc1=O)N1CCOCC1)Nc1ccc2c(c1)CC(O2)C
• InChI: InChI=1S/C19H22N4O4/c1-13-8-14-9-15(2-3-17(14)27-13)21-18(24)12-23-19(25)10-16(11-20-23)22-4-6-26-7-5-22/h2-3,9-11,13H,4-8,12H2,1H3,(H,21,24)
• InChIKey: LACOHADQXRAVAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamide
• IUPAC Traditional name: N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-[4-(morpholin-4-yl)-6-oxopyridazin-1-yl]acetamide
• Synonyms: N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-[4-(4-morpholinyl)-6-oxo-1(6H)-pyridazinyl]acetamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• LOG S: -3.46
• Polar Surface Area: 85.69 Å^2
• Rotatable Bonds: 4
• H Acceptors: 5
• H Donor: 1
• Log P: 0.29

JChem

• Molar Refractivity: 102.1798 cm^3
• Polarizability: 37.456593 Å^3
• Polar Surface Area: 83.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 11.700563
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.5949031
• LogD (pH = 7.4): 0.5948817
• Log P: 0.5949034