2,4-dimethoxy-6-(2,3,4-trimethoxyphenyl)-1,3,5-triazine

• ChemBase ID: 644480
• Molecular Formular: C14H17N3O5
• Molecular Mass: 307.30188
• Monoisotopic Mass: 307.11682066
• SMILES: c1(nc(nc(n1)OC)OC)c1c(c(c(cc1)OC)OC)OC
• Canonical SMILES: COc1nc(OC)nc(n1)c1ccc(c(c1OC)OC)OC
• InChI: InChI=1S/C14H17N3O5/c1-18-9-7-6-8(10(19-2)11(9)20-3)12-15-13(21-4)17-14(16-12)22-5/h6-7H,1-5H3
• InChIKey: QFRUUBYPGFYWCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethoxy-6-(2,3,4-trimethoxyphenyl)-1,3,5-triazine
• IUPAC Traditional name: 2,4-dimethoxy-6-(2,3,4-trimethoxyphenyl)-1,3,5-triazine
• Synonyms: 2,4-dimethoxy-6-(2,3,4-trimethoxyphenyl)-1,3,5-triazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): 2.4258053
• LogD (pH = 7.4): 2.4258056
• Log P: 2.4258056
• Molar Refractivity: 90.1407 cm^3
• Polarizability: 30.604168 Å^3
• Polar Surface Area: 84.82 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 0
• Log P: 1.72
• LOG S: -2.91
• Polar Surface Area: 84.82 Å^2
• Rotatable Bonds: 6