2-{[6-(pyrrolidin-1-yl)pyridazin-3-yl]oxy}-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

• ChemBase ID: 360150
• Molecular Formular: C20H24N4O2
• Molecular Mass: 352.43016
• Monoisotopic Mass: 352.18992603
• SMILES: n1c(N2CCCC2)ccc(n1)OCC(=O)NC1c2c(CCC1)cccc2
• Canonical SMILES: O=C(NC1CCCc2c1cccc2)COc1ccc(nn1)N1CCCC1
• InChI: InChI=1S/C20H24N4O2/c25-19(21-17-9-5-7-15-6-1-2-8-16(15)17)14-26-20-11-10-18(22-23-20)24-12-3-4-13-24/h1-2,6,8,10-11,17H,3-5,7,9,12-14H2,(H,21,25)
• InChIKey: AQSJDRMFRHLCTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[6-(pyrrolidin-1-yl)pyridazin-3-yl]oxy}-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
• IUPAC Traditional name: 2-{[6-(pyrrolidin-1-yl)pyridazin-3-yl]oxy}-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
• Synonyms: 2-{[6-(1-pyrrolidinyl)-3-pyridazinyl]oxy}-N-(1,2,3,4-tetrahydro-1-naphthalenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.145169
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.9282584
• LogD (pH = 7.4): 2.9288628
• Log P: 2.9288714
• Molar Refractivity: 102.4221 cm^3
• Polarizability: 38.046894 Å^3
• Polar Surface Area: 67.35 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: 3.14
• LOG S: -5.1
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 5