4-(2-ethoxyphenyl)-5-methylthieno[2,3-d]pyrimidine

• ChemBase ID: 842262
• Molecular Formular: C15H14N2OS
• Molecular Mass: 270.34946
• Monoisotopic Mass: 270.08268408
• SMILES: c12c(c3c(OCC)cccc3)ncnc1scc2C
• Canonical SMILES: CCOc1ccccc1c1ncnc2c1c(C)cs2
• InChI: InChI=1S/C15H14N2OS/c1-3-18-12-7-5-4-6-11(12)14-13-10(2)8-19-15(13)17-9-16-14/h4-9H,3H2,1-2H3
• InChIKey: UGKJUJDKHXTWHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-ethoxyphenyl)-5-methylthieno[2,3-d]pyrimidine
• IUPAC Traditional name: 4-(2-ethoxyphenyl)-5-methylthieno[2,3-d]pyrimidine
• Synonyms: 4-(2-ethoxyphenyl)-5-methylthieno[2,3-d]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.0388527
• LogD (pH = 7.4): 4.038856
• Log P: 4.038856
• Molar Refractivity: 77.0322 cm^3
• Polarizability: 31.151453 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: 3.49
• LOG S: -4.16
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 3