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

• ChemBase ID: 447004
• Molecular Formular: C15H22N6O2S
• Molecular Mass: 350.43918
• Monoisotopic Mass: 350.15249497
• SMILES: n1(c(nnn1)CN1CCOCC1)CC(=O)NC(Cc1sccc1)C
• Canonical SMILES: CC(Cc1cccs1)NC(=O)Cn1nnnc1CN1CCOCC1
• InChI: InChI=1S/C15H22N6O2S/c1-12(9-13-3-2-8-24-13)16-15(22)11-21-14(17-18-19-21)10-20-4-6-23-7-5-20/h2-3,8,12H,4-7,9-11H2,1H3,(H,16,22)
• InChIKey: VKDALLYUGGFTLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.875319
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.37113324
• LogD (pH = 7.4): 0.3858905
• Log P: 0.38608196
• Molar Refractivity: 104.069 cm^3
• Polarizability: 34.8353 Å^3
• Polar Surface Area: 85.17 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.32
• LOG S: -1.32
• Polar Surface Area: 85.17 Å^2
• Rotatable Bonds: 7