N-benzyl-N-methyl-3-(4-methylphenyl)-5-(1H-1,2,3,4-tetrazol-1-yl)benzamide

• ChemBase ID: 572157
• Molecular Formular: C23H21N5O
• Molecular Mass: 383.44574
• Monoisotopic Mass: 383.17461032
• SMILES: n1(nnnc1)c1cc(C(=O)N(Cc2ccccc2)C)cc(c1)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)c1cc(cc(c1)n1cnnn1)C(=O)N(Cc1ccccc1)C
• InChI: InChI=1S/C23H21N5O/c1-17-8-10-19(11-9-17)20-12-21(14-22(13-20)28-16-24-25-26-28)23(29)27(2)15-18-6-4-3-5-7-18/h3-14,16H,15H2,1-2H3
• InChIKey: HHTJXDHTPHQUNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-methyl-3-(4-methylphenyl)-5-(1H-1,2,3,4-tetrazol-1-yl)benzamide
• IUPAC Traditional name: N-benzyl-N-methyl-3-(4-methylphenyl)-5-(1,2,3,4-tetrazol-1-yl)benzamide
• Synonyms: N-benzyl-N,4'-dimethyl-5-(1H-tetrazol-1-yl)-3-biphenylcarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.1937823
• LogD (pH = 7.4): 4.1937823
• Log P: 4.1937823
• Molar Refractivity: 116.6547 cm^3
• Polarizability: 44.514496 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: 4.34
• LOG S: -5.5
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 5