N-{[7-(1-benzofuran-2-carbonyl)-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl]methyl}-2-methoxy-2-phenylacetamide

• ChemBase ID: 621816
• Molecular Formular: C28H27N3O4
• Molecular Mass: 469.53168
• Monoisotopic Mass: 469.20015636
• SMILES: c1(C(=O)N2Cc3c(c(CNC(=O)C(c4ccccc4)OC)c(nc3)C)CC2)oc2c(c1)cccc2
• Canonical SMILES: COC(c1ccccc1)C(=O)NCc1c(C)ncc2c1CCN(C2)C(=O)c1cc2c(o1)cccc2
• InChI: InChI=1S/C28H27N3O4/c1-18-23(16-30-27(32)26(34-2)19-8-4-3-5-9-19)22-12-13-31(17-21(22)15-29-18)28(33)25-14-20-10-6-7-11-24(20)35-25/h3-11,14-15,26H,12-13,16-17H2,1-2H3,(H,30,32)
• InChIKey: GVRBRVIPNZIYSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[7-(1-benzofuran-2-carbonyl)-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl]methyl}-2-methoxy-2-phenylacetamide
• IUPAC Traditional name: N-{[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl}-2-methoxy-2-phenylacetamide
• Synonyms: N-{[7-(1-benzofuran-2-ylcarbonyl)-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl]methyl}-2-methoxy-2-phenylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.459212
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.5645366
• LogD (pH = 7.4): 2.7326715
• Log P: 2.7353451
• Molar Refractivity: 132.7337 cm^3
• Polarizability: 51.647877 Å^3
• Polar Surface Area: 84.67 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.14
• LOG S: -5.64
• Polar Surface Area: 84.67 Å^2
• Rotatable Bonds: 5