4-[(5-ethylpyridin-2-yl)methyl]-2-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-yl]morpholine

• ChemBase ID: 856066
• Molecular Formular: C16H24N6O2
• Molecular Mass: 332.40076
• Monoisotopic Mass: 332.19607404
• SMILES: c1(n(nnn1)CCOC)C1CN(Cc2ncc(cc2)CC)CCO1
• Canonical SMILES: COCCn1nnnc1C1OCCN(C1)Cc1ccc(cn1)CC
• InChI: InChI=1S/C16H24N6O2/c1-3-13-4-5-14(17-10-13)11-21-6-9-24-15(12-21)16-18-19-20-22(16)7-8-23-2/h4-5,10,15H,3,6-9,11-12H2,1-2H3
• InChIKey: VHIMNYQXLZMUKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(5-ethylpyridin-2-yl)methyl]-2-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-yl]morpholine
• IUPAC Traditional name: 4-[(5-ethylpyridin-2-yl)methyl]-2-[1-(2-methoxyethyl)-1,2,3,4-tetrazol-5-yl]morpholine
• Synonyms: 4-[(5-ethylpyridin-2-yl)methyl]-2-[1-(2-methoxyethyl)-1H-tetrazol-5-yl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 0.62041783
• LogD (pH = 7.4): 0.85599566
• Log P: 0.8600179
• Molar Refractivity: 102.8433 cm^3
• Polarizability: 34.556385 Å^3
• Polar Surface Area: 78.19 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: -0.13
• LOG S: -0.52
• Polar Surface Area: 78.19 Å^2
• Rotatable Bonds: 7