N-benzyl-2-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]acetamide

• ChemBase ID: 556986
• Molecular Formular: C15H20N6O2
• Molecular Mass: 316.3583
• Monoisotopic Mass: 316.16477391
• SMILES: n1(c(nnn1)CN1CCOCC1)CC(=O)NCc1ccccc1
• Canonical SMILES: O=C(Cn1nnnc1CN1CCOCC1)NCc1ccccc1
• InChI: InChI=1S/C15H20N6O2/c22-15(16-10-13-4-2-1-3-5-13)12-21-14(17-18-19-21)11-20-6-8-23-9-7-20/h1-5H,6-12H2,(H,16,22)
• InChIKey: MDNBNYKJXFMJJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]acetamide
• IUPAC Traditional name: N-benzyl-2-[5-(morpholin-4-ylmethyl)-1,2,3,4-tetrazol-1-yl]acetamide
• Synonyms: N-benzyl-2-[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.88875
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.24698438
• LogD (pH = 7.4): -0.23222709
• Log P: -0.23203565
• Molar Refractivity: 97.8949 cm^3
• Polarizability: 32.4501 Å^3
• Polar Surface Area: 85.17 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.15
• LOG S: -0.89
• Polar Surface Area: 85.17 Å^2
• Rotatable Bonds: 6