2-methyl-6-[2-(3-phenylpropyl)morpholine-4-carbonyl]-2,3,4,5-tetrahydropyridazin-3-one

• ChemBase ID: 477465
• Molecular Formular: C19H25N3O3
• Molecular Mass: 343.4201
• Monoisotopic Mass: 343.18959168
• SMILES: N1=C(C(=O)N2CC(OCC2)CCCc2ccccc2)CCC(=O)N1C
• Canonical SMILES: CN1N=C(CCC1=O)C(=O)N1CCOC(C1)CCCc1ccccc1
• InChI: InChI=1S/C19H25N3O3/c1-21-18(23)11-10-17(20-21)19(24)22-12-13-25-16(14-22)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3
• InChIKey: UXYXQLUTAILAKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-[2-(3-phenylpropyl)morpholine-4-carbonyl]-2,3,4,5-tetrahydropyridazin-3-one
• IUPAC Traditional name: 2-methyl-6-[2-(3-phenylpropyl)morpholine-4-carbonyl]-4,5-dihydropyridazin-3-one
• Synonyms: 2-methyl-6-{[2-(3-phenylpropyl)-4-morpholinyl]carbonyl}-4,5-dihydro-3(2H)-pyridazinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1449182
• LogD (pH = 7.4): 2.1449184
• Log P: 2.1449184
• Molar Refractivity: 94.9889 cm^3
• Polarizability: 36.58423 Å^3
• Polar Surface Area: 62.21 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.23
• LOG S: -4.31
• Polar Surface Area: 62.21 Å^2
• Rotatable Bonds: 5