4-benzyl-1-[3-(4-fluorophenyl)-5-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]piperidine

• ChemBase ID: 783245
• Molecular Formular: C26H24FN5O
• Molecular Mass: 441.5000632
• Monoisotopic Mass: 441.19648863
• SMILES: n1(nnnc1)c1cc(C(=O)N2CCC(Cc3ccccc3)CC2)cc(c1)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)c1cc(cc(c1)n1cnnn1)C(=O)N1CCC(CC1)Cc1ccccc1
• InChI: InChI=1S/C26H24FN5O/c27-24-8-6-21(7-9-24)22-15-23(17-25(16-22)32-18-28-29-30-32)26(33)31-12-10-20(11-13-31)14-19-4-2-1-3-5-19/h1-9,15-18,20H,10-14H2
• InChIKey: NSZQZDYUQLHSKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-benzyl-1-[3-(4-fluorophenyl)-5-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]piperidine
• IUPAC Traditional name: 4-benzyl-1-[3-(4-fluorophenyl)-5-(1,2,3,4-tetrazol-1-yl)benzoyl]piperidine
• Synonyms: 4-benzyl-1-{[4'-fluoro-5-(1H-tetrazol-1-yl)-3-biphenylyl]carbonyl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.8143477
• LogD (pH = 7.4): 4.8143477
• Log P: 4.8143477
• Molar Refractivity: 128.6039 cm^3
• Polarizability: 48.924984 Å^3
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.92
• LOG S: -6.74
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 5