2-[5-(4-fluorophenyl)-2H-1,2,3,4-tetrazol-2-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide

• ChemBase ID: 714502
• Molecular Formular: C19H20FN7O
• Molecular Mass: 381.4068032
• Monoisotopic Mass: 381.17133652
• SMILES: n1n(nnc1c1ccc(cc1)F)CC(=O)NCc1c2c(cnc1C)CNCC2
• Canonical SMILES: O=C(Cn1nnc(n1)c1ccc(cc1)F)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C19H20FN7O/c1-12-17(16-6-7-21-8-14(16)9-22-12)10-23-18(28)11-27-25-19(24-26-27)13-2-4-15(20)5-3-13/h2-5,9,21H,6-8,10-11H2,1H3,(H,23,28)
• InChIKey: RHTZVMWVGJDKMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[5-(4-fluorophenyl)-2H-1,2,3,4-tetrazol-2-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide
• IUPAC Traditional name: 2-[5-(4-fluorophenyl)-1,2,3,4-tetrazol-2-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide
• Synonyms: 2-[5-(4-fluorophenyl)-2H-tetrazol-2-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.193884
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -1.5469373
• LogD (pH = 7.4): 0.053201355
• Log P: 1.5517414
• Molar Refractivity: 125.2609 cm^3
• Polarizability: 38.77641 Å^3
• Polar Surface Area: 97.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 0.54
• LOG S: -1.14
• Polar Surface Area: 97.62 Å^2
• Rotatable Bonds: 5