N-{[7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl}cyclopropanecarboxamide

• ChemBase ID: 338034
• Molecular Formular: C19H21N3O3
• Molecular Mass: 339.38834
• Monoisotopic Mass: 339.15829155
• SMILES: c12c(c3nnc(cc3)OC)cc(cc1CC(O2)CNC(=O)C1CC1)C
• Canonical SMILES: COc1ccc(nn1)c1cc(C)cc2c1OC(C2)CNC(=O)C1CC1
• InChI: InChI=1S/C19H21N3O3/c1-11-7-13-9-14(10-20-19(23)12-3-4-12)25-18(13)15(8-11)16-5-6-17(24-2)22-21-16/h5-8,12,14H,3-4,9-10H2,1-2H3,(H,20,23)
• InChIKey: ZIMQLEBLVADBCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl}cyclopropanecarboxamide
• IUPAC Traditional name: N-{[7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl}cyclopropanecarboxamide
• Synonyms: N-{[7-(6-methoxy-3-pyridazinyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl}cyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.063094
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.5027282
• LogD (pH = 7.4): 2.5027301
• Log P: 2.5027301
• Molar Refractivity: 94.5823 cm^3
• Polarizability: 37.097374 Å^3
• Polar Surface Area: 73.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.07
• LOG S: -4.44
• Polar Surface Area: 73.34 Å^2
• Rotatable Bonds: 4