N-methyl-2-(5-{[methyl(propan-2-yl)amino]methyl}-1H-1,2,3,4-tetrazol-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide

• ChemBase ID: 700385
• Molecular Formular: C15H24N6O2
• Molecular Mass: 320.39006
• Monoisotopic Mass: 320.19607404
• SMILES: n1(c(nnn1)CN(C(C)C)C)CC(=O)N(Cc1oc(cc1)C)C
• Canonical SMILES: CN(C(C)C)Cc1nnnn1CC(=O)N(Cc1ccc(o1)C)C
• InChI: InChI=1S/C15H24N6O2/c1-11(2)19(4)9-14-16-17-18-21(14)10-15(22)20(5)8-13-7-6-12(3)23-13/h6-7,11H,8-10H2,1-5H3
• InChIKey: ZNDAJZHBIZXBJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(5-{[methyl(propan-2-yl)amino]methyl}-1H-1,2,3,4-tetrazol-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
• IUPAC Traditional name: 2-(5-{[isopropyl(methyl)amino]methyl}-1,2,3,4-tetrazol-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
• Synonyms: 2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)-N-methyl-N-[(5-methyl-2-furyl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.81165993
• LogD (pH = 7.4): 0.18997726
• Log P: 0.24333182
• Molar Refractivity: 100.4251 cm^3
• Polarizability: 32.967346 Å^3
• Polar Surface Area: 80.29 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: 1.0
• LOG S: -0.62
• Polar Surface Area: 80.29 Å^2
• Rotatable Bonds: 6