2-(2-ethylbutyl)-5-(morpholin-4-yl)-2,3-dihydropyridazin-3-one

• ChemBase ID: 713818
• Molecular Formular: C14H23N3O2
• Molecular Mass: 265.35132
• Monoisotopic Mass: 265.17902699
• SMILES: c1c(=O)n(ncc1N1CCOCC1)CC(CC)CC
• Canonical SMILES: CCC(Cn1ncc(cc1=O)N1CCOCC1)CC
• InChI: InChI=1S/C14H23N3O2/c1-3-12(4-2)11-17-14(18)9-13(10-15-17)16-5-7-19-8-6-16/h9-10,12H,3-8,11H2,1-2H3
• InChIKey: UVQCHJYNDYVKRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-ethylbutyl)-5-(morpholin-4-yl)-2,3-dihydropyridazin-3-one
• IUPAC Traditional name: 2-(2-ethylbutyl)-5-(morpholin-4-yl)pyridazin-3-one
• Synonyms: 2-(2-ethylbutyl)-5-(4-morpholinyl)-3(2H)-pyridazinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5172646
• LogD (pH = 7.4): 1.5172664
• Log P: 1.5172665
• Molar Refractivity: 76.5725 cm^3
• Polarizability: 28.590408 Å^3
• Polar Surface Area: 45.14 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.26
• LOG S: -3.07
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 5