2-(3-phenylpropyl)-5-(pyrrolidin-1-yl)-2,3-dihydropyridazin-3-one

• ChemBase ID: 845868
• Molecular Formular: C17H21N3O
• Molecular Mass: 283.36814
• Monoisotopic Mass: 283.16846231
• SMILES: c1c(=O)n(ncc1N1CCCC1)CCCc1ccccc1
• Canonical SMILES: O=c1cc(cnn1CCCc1ccccc1)N1CCCC1
• InChI: InChI=1S/C17H21N3O/c21-17-13-16(19-10-4-5-11-19)14-18-20(17)12-6-9-15-7-2-1-3-8-15/h1-3,7-8,13-14H,4-6,9-12H2
• InChIKey: YGBFSYWRLHCIBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-phenylpropyl)-5-(pyrrolidin-1-yl)-2,3-dihydropyridazin-3-one
• IUPAC Traditional name: 2-(3-phenylpropyl)-5-(pyrrolidin-1-yl)pyridazin-3-one
• Synonyms: 2-(3-phenylpropyl)-5-pyrrolidin-1-ylpyridazin-3(2H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4658246
• LogD (pH = 7.4): 2.4658267
• Log P: 2.4658267
• Molar Refractivity: 86.0614 cm^3
• Polarizability: 31.958336 Å^3
• Polar Surface Area: 35.91 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.42
• LOG S: -3.33
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 5