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

• ChemBase ID: 353297
• Molecular Formular: C23H23N3O2
• Molecular Mass: 373.44762
• Monoisotopic Mass: 373.17902699
• SMILES: c1(c2c(cnc1C)CNCC2)CNC(=O)c1c(Oc2ccccc2)cccc1
• Canonical SMILES: O=C(c1ccccc1Oc1ccccc1)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C23H23N3O2/c1-16-21(19-11-12-24-13-17(19)14-25-16)15-26-23(27)20-9-5-6-10-22(20)28-18-7-3-2-4-8-18/h2-10,14,24H,11-13,15H2,1H3,(H,26,27)
• InChIKey: XVTKAKKCTWKOJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.8919115
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.24458542
• LogD (pH = 7.4): 1.2876571
• Log P: 2.7842577
• Molar Refractivity: 109.8787 cm^3
• Polarizability: 42.032875 Å^3
• Polar Surface Area: 63.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.91
• LOG S: -3.11
• Polar Surface Area: 63.25 Å^2
• Rotatable Bonds: 5