N-{[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl}-2-(2-methoxyphenoxy)acetamide

• ChemBase ID: 383095
• Molecular Formular: C24H24FN3O4
• Molecular Mass: 437.4634632
• Monoisotopic Mass: 437.17508448
• SMILES: c12c(c3nc(cnc3C)C)ccc(c1CC(O2)CNC(=O)COc1c(OC)cccc1)F
• Canonical SMILES: COc1ccccc1OCC(=O)NCC1Cc2c(O1)c(ccc2F)c1nc(C)cnc1C
• InChI: InChI=1S/C24H24FN3O4/c1-14-11-26-15(2)23(28-14)17-8-9-19(25)18-10-16(32-24(17)18)12-27-22(29)13-31-21-7-5-4-6-20(21)30-3/h4-9,11,16H,10,12-13H2,1-3H3,(H,27,29)
• InChIKey: YGRINYDRLBYISW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl}-2-(2-methoxyphenoxy)acetamide
• IUPAC Traditional name: N-{[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl}-2-(2-methoxyphenoxy)acetamide
• Synonyms: N-{[7-(3,6-dimethyl-2-pyrazinyl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl}-2-(2-methoxyphenoxy)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.303227
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.2994804
• LogD (pH = 7.4): 2.2994976
• Log P: 2.2994983
• Molar Refractivity: 115.1697 cm^3
• Polarizability: 45.83285 Å^3
• Polar Surface Area: 82.57 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 3.48
• LOG S: -5.16
• Polar Surface Area: 82.57 Å^2
• Rotatable Bonds: 6