6-[2-(4-methylpentyl)morpholine-4-carbonyl]-2,3-dihydropyridazin-3-one

• ChemBase ID: 552655
• Molecular Formular: C15H23N3O3
• Molecular Mass: 293.36142
• Monoisotopic Mass: 293.17394161
• SMILES: c1(n[nH]c(=O)cc1)C(=O)N1CC(OCC1)CCCC(C)C
• Canonical SMILES: CC(CCCC1OCCN(C1)C(=O)c1ccc(=O)[nH]n1)C
• InChI: InChI=1S/C15H23N3O3/c1-11(2)4-3-5-12-10-18(8-9-21-12)15(20)13-6-7-14(19)17-16-13/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,17,19)
• InChIKey: OWFQWFKJPGXZGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[2-(4-methylpentyl)morpholine-4-carbonyl]-2,3-dihydropyridazin-3-one
• IUPAC Traditional name: 6-[2-(4-methylpentyl)morpholine-4-carbonyl]-2H-pyridazin-3-one
• Synonyms: 6-{[2-(4-methylpentyl)-4-morpholinyl]carbonyl}-3(2H)-pyridazinone

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.696393
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6444036
• LogD (pH = 7.4): 1.6424891
• Log P: 1.6444281
• Molar Refractivity: 80.2168 cm^3
• Polarizability: 30.52899 Å^3
• Polar Surface Area: 71.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.14
• LOG S: -3.39
• Polar Surface Area: 75.29 Å^2
• Rotatable Bonds: 4