2,4-difluoro-3-methoxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide

• ChemBase ID: 660178
• Molecular Formular: C18H19F2N3O2
• Molecular Mass: 347.3591664
• Monoisotopic Mass: 347.1445333
• SMILES: c1(c(c(c(cc1)F)OC)F)C(=O)NCc1c2c(cnc1C)CNCC2
• Canonical SMILES: COc1c(F)ccc(c1F)C(=O)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C18H19F2N3O2/c1-10-14(12-5-6-21-7-11(12)8-22-10)9-23-18(24)13-3-4-15(19)17(25-2)16(13)20/h3-4,8,21H,5-7,9H2,1-2H3,(H,23,24)
• InChIKey: IWPJJFXOFYFRFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-difluoro-3-methoxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide
• IUPAC Traditional name: 2,4-difluoro-3-methoxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide
• Synonyms: 2,4-difluoro-3-methoxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.623021
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.6171354
• LogD (pH = 7.4): -0.08489052
• Log P: 1.411703
• Molar Refractivity: 90.5339 cm^3
• Polarizability: 33.625347 Å^3
• Polar Surface Area: 63.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.03
• LOG S: -1.31
• Polar Surface Area: 63.25 Å^2
• Rotatable Bonds: 4