1-(cyclohexylmethyl)-N-(diphenylmethyl)-1H-1,2,3-triazole-4-carboxamide

• ChemBase ID: 785306
• Molecular Formular: C23H26N4O
• Molecular Mass: 374.47874
• Monoisotopic Mass: 374.21066147
• SMILES: c1(nnn(c1)CC1CCCCC1)C(=O)NC(c1ccccc1)c1ccccc1
• Canonical SMILES: O=C(c1nnn(c1)CC1CCCCC1)NC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H26N4O/c28-23(21-17-27(26-25-21)16-18-10-4-1-5-11-18)24-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h2-3,6-9,12-15,17-18,22H,1,4-5,10-11,16H2,(H,24,28)
• InChIKey: QSLYSSRCRMKDAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.790029
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 5.103393
• LogD (pH = 7.4): 5.103378
• Log P: 5.103393
• Molar Refractivity: 121.5619 cm^3
• Polarizability: 42.21078 Å^3
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.68
• LOG S: -6.41
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 6