(5-{1-[4-(1H-1,2,3,4-tetrazol-5-yloxy)phenyl]-1H-imidazol-2-yl}furan-2-yl)methanol

• ChemBase ID: 650319
• Molecular Formular: C15H12N6O3
• Molecular Mass: 324.29418
• Monoisotopic Mass: 324.09708827
• SMILES: c1(n(c2ccc(Oc3nnn[nH]3)cc2)ccn1)c1oc(cc1)CO
• Canonical SMILES: OCc1ccc(o1)c1nccn1c1ccc(cc1)Oc1nnn[nH]1
• InChI: InChI=1S/C15H12N6O3/c22-9-12-5-6-13(23-12)14-16-7-8-21(14)10-1-3-11(4-2-10)24-15-17-19-20-18-15/h1-8,22H,9H2,(H,17,18,19,20)
• InChIKey: BSKPHCBQGIQYFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-{1-[4-(1H-1,2,3,4-tetrazol-5-yloxy)phenyl]-1H-imidazol-2-yl}furan-2-yl)methanol
• IUPAC Traditional name: (5-{1-[4-(1H-1,2,3,4-tetrazol-5-yloxy)phenyl]imidazol-2-yl}furan-2-yl)methanol
• Synonyms: (5-{1-[4-(1H-tetrazol-5-yloxy)phenyl]-1H-imidazol-2-yl}-2-furyl)methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 1.658377
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.23932578
• LogD (pH = 7.4): -0.19790192
• Log P: -0.72613436
• Molar Refractivity: 106.167 cm^3
• Polarizability: 32.447186 Å^3
• Polar Surface Area: 114.88 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 2
• Log P: 1.11
• LOG S: -2.51
• Polar Surface Area: 114.88 Å^2
• Rotatable Bonds: 5