N-[1-(furan-2-carbonyl)piperidin-3-yl]-4-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)benzamide

• ChemBase ID: 860877
• Molecular Formular: C19H20N6O3
• Molecular Mass: 380.4005
• Monoisotopic Mass: 380.15968853
• SMILES: n1c(nnn1C)c1ccc(C(=O)NC2CN(C(=O)c3occc3)CCC2)cc1
• Canonical SMILES: Cn1nnc(n1)c1ccc(cc1)C(=O)NC1CCCN(C1)C(=O)c1ccco1
• InChI: InChI=1S/C19H20N6O3/c1-24-22-17(21-23-24)13-6-8-14(9-7-13)18(26)20-15-4-2-10-25(12-15)19(27)16-5-3-11-28-16/h3,5-9,11,15H,2,4,10,12H2,1H3,(H,20,26)
• InChIKey: IZHYHFXWPDMJGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(furan-2-carbonyl)piperidin-3-yl]-4-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)benzamide
• IUPAC Traditional name: N-[1-(furan-2-carbonyl)piperidin-3-yl]-4-(2-methyl-1,2,3,4-tetrazol-5-yl)benzamide
• Synonyms: N-[1-(2-furoyl)piperidin-3-yl]-4-(2-methyl-2H-tetrazol-5-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.334134
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.7364162
• LogD (pH = 7.4): 1.7364163
• Log P: 1.7364165
• Molar Refractivity: 125.1742 cm^3
• Polarizability: 38.09517 Å^3
• Polar Surface Area: 106.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.2
• LOG S: -3.0
• Polar Surface Area: 106.15 Å^2
• Rotatable Bonds: 4