N-{[7-(2,3-dimethoxybenzoyl)-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl]methyl}-5-(methoxymethyl)furan-2-carboxamide

• ChemBase ID: 357723
• Molecular Formular: C26H29N3O6
• Molecular Mass: 479.52496
• Monoisotopic Mass: 479.20563566
• SMILES: C(=O)(c1c(c(OC)ccc1)OC)N1Cc2c(c(CNC(=O)c3oc(cc3)COC)c(nc2)C)CC1
• Canonical SMILES: COCc1ccc(o1)C(=O)NCc1c(C)ncc2c1CCN(C2)C(=O)c1cccc(c1OC)OC
• InChI: InChI=1S/C26H29N3O6/c1-16-21(13-28-25(30)23-9-8-18(35-23)15-32-2)19-10-11-29(14-17(19)12-27-16)26(31)20-6-5-7-22(33-3)24(20)34-4/h5-9,12H,10-11,13-15H2,1-4H3,(H,28,30)
• InChIKey: NARSGEYETJTSRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[7-(2,3-dimethoxybenzoyl)-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl]methyl}-5-(methoxymethyl)furan-2-carboxamide
• IUPAC Traditional name: N-{[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl}-5-(methoxymethyl)furan-2-carboxamide
• Synonyms: N-{[7-(2,3-dimethoxybenzoyl)-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl]methyl}-5-(methoxymethyl)-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.785323
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.1179758
• LogD (pH = 7.4): 1.2860961
• Log P: 1.288769
• Molar Refractivity: 130.6362 cm^3
• Polarizability: 49.014 Å^3
• Polar Surface Area: 103.13 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 1.57
• LOG S: -5.33
• Polar Surface Area: 103.13 Å^2
• Rotatable Bonds: 5