3-(2-methoxyphenyl)-6-(4-methylthiophen-3-yl)pyridazine

• ChemBase ID: 690324
• Molecular Formular: C16H14N2OS
• Molecular Mass: 282.36016
• Monoisotopic Mass: 282.08268408
• SMILES: c1(c(csc1)C)c1nnc(c2c(OC)cccc2)cc1
• Canonical SMILES: COc1ccccc1c1ccc(nn1)c1cscc1C
• InChI: InChI=1S/C16H14N2OS/c1-11-9-20-10-13(11)15-8-7-14(17-18-15)12-5-3-4-6-16(12)19-2/h3-10H,1-2H3
• InChIKey: OOWSLHCZLVRKAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyphenyl)-6-(4-methylthiophen-3-yl)pyridazine
• IUPAC Traditional name: 3-(2-methoxyphenyl)-6-(4-methylthiophen-3-yl)pyridazine
• Synonyms: 3-(2-methoxyphenyl)-6-(4-methyl-3-thienyl)pyridazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.9781315
• LogD (pH = 7.4): 3.9781468
• Log P: 3.9781468
• Molar Refractivity: 81.903 cm^3
• Polarizability: 33.445316 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.75
• LOG S: -3.61
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 3