1-cyclohexyl-N-(3,3-diphenylpropyl)-1H-1,2,3-triazole-4-carboxamide

• ChemBase ID: 515452
• Molecular Formular: C24H28N4O
• Molecular Mass: 388.50532
• Monoisotopic Mass: 388.22631154
• SMILES: c1(nnn(c1)C1CCCCC1)C(=O)NCCC(c1ccccc1)c1ccccc1
• Canonical SMILES: O=C(c1nnn(c1)C1CCCCC1)NCCC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H28N4O/c29-24(23-18-28(27-26-23)21-14-8-3-9-15-21)25-17-16-22(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-2,4-7,10-13,18,21-22H,3,8-9,14-17H2,(H,25,29)
• InChIKey: OIXXCPJFLZUWMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-N-(3,3-diphenylpropyl)-1H-1,2,3-triazole-4-carboxamide
• IUPAC Traditional name: 1-cyclohexyl-N-(3,3-diphenylpropyl)-1,2,3-triazole-4-carboxamide
• Synonyms: 1-cyclohexyl-N-(3,3-diphenylpropyl)-1H-1,2,3-triazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.725077
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 5.158193
• LogD (pH = 7.4): 5.158175
• Log P: 5.158193
• Molar Refractivity: 126.5479 cm^3
• Polarizability: 44.058804 Å^3
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.66
• LOG S: -7.3
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 7