3-[4-(1-methoxyethyl)phenyl]-6-(propan-2-yloxy)pyridazine

• ChemBase ID: 437081
• Molecular Formular: C16H20N2O2
• Molecular Mass: 272.3422
• Monoisotopic Mass: 272.15247789
• SMILES: n1nc(OC(C)C)ccc1c1ccc(cc1)C(OC)C
• Canonical SMILES: COC(c1ccc(cc1)c1ccc(nn1)OC(C)C)C
• InChI: InChI=1S/C16H20N2O2/c1-11(2)20-16-10-9-15(17-18-16)14-7-5-13(6-8-14)12(3)19-4/h5-12H,1-4H3
• InChIKey: GGGKUHSXCUZHIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[4-(1-methoxyethyl)phenyl]-6-(propan-2-yloxy)pyridazine
• IUPAC Traditional name: 3-isopropoxy-6-[4-(1-methoxyethyl)phenyl]pyridazine
• Synonyms: 3-isopropoxy-6-[4-(1-methoxyethyl)phenyl]pyridazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.311391
• LogD (pH = 7.4): 3.3114
• Log P: 3.3114002
• Molar Refractivity: 80.4586 cm^3
• Polarizability: 31.931429 Å^3
• Polar Surface Area: 44.24 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: 2.86
• LOG S: -3.63
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 5