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

• ChemBase ID: 503121
• Molecular Formular: C16H22N6O3
• Molecular Mass: 346.38428
• Monoisotopic Mass: 346.17533859
• SMILES: n1(c(nnn1)CN1CCOCC1)CC(=O)NCCOc1ccccc1
• Canonical SMILES: O=C(Cn1nnnc1CN1CCOCC1)NCCOc1ccccc1
• InChI: InChI=1S/C16H22N6O3/c23-16(17-6-9-25-14-4-2-1-3-5-14)13-22-15(18-19-20-22)12-21-7-10-24-11-8-21/h1-5H,6-13H2,(H,17,23)
• InChIKey: AXFJZDREBAIQOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.856228
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): -0.3274079
• LogD (pH = 7.4): -0.3126506
• Log P: -0.31245917
• Molar Refractivity: 103.8345 cm^3
• Polarizability: 34.996433 Å^3
• Polar Surface Area: 94.4 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 1
• Log P: 0.5
• LOG S: -0.96
• Polar Surface Area: 94.4 Å^2
• Rotatable Bonds: 8