2-[2-(2-cyclopropyl-1H-imidazol-1-yl)ethyl]-6-phenyl-2,3-dihydropyridazin-3-one

• ChemBase ID: 524328
• Molecular Formular: C18H18N4O
• Molecular Mass: 306.36172
• Monoisotopic Mass: 306.14806122
• SMILES: n1n(c(=O)ccc1c1ccccc1)CCn1c(ncc1)C1CC1
• Canonical SMILES: O=c1ccc(nn1CCn1ccnc1C1CC1)c1ccccc1
• InChI: InChI=1S/C18H18N4O/c23-17-9-8-16(14-4-2-1-3-5-14)20-22(17)13-12-21-11-10-19-18(21)15-6-7-15/h1-5,8-11,15H,6-7,12-13H2
• InChIKey: HUPZHHKXRAXUSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(2-cyclopropyl-1H-imidazol-1-yl)ethyl]-6-phenyl-2,3-dihydropyridazin-3-one
• IUPAC Traditional name: 2-[2-(2-cyclopropylimidazol-1-yl)ethyl]-6-phenylpyridazin-3-one
• Synonyms: 2-[2-(2-cyclopropyl-1H-imidazol-1-yl)ethyl]-6-phenylpyridazin-3(2H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4357586
• LogD (pH = 7.4): 2.2530677
• Log P: 2.3933465
• Molar Refractivity: 89.3805 cm^3
• Polarizability: 33.454315 Å^3
• Polar Surface Area: 50.49 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: 1.07
• LOG S: -2.35
• Polar Surface Area: 52.71 Å^2
• Rotatable Bonds: 5