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

• ChemBase ID: 395912
• Molecular Formular: C25H24N4O
• Molecular Mass: 396.48426
• Monoisotopic Mass: 396.19501141
• SMILES: n1(nnc(c1)C(=O)NCCCc1ccccc1)C(c1ccccc1)c1ccccc1
• Canonical SMILES: O=C(c1nnn(c1)C(c1ccccc1)c1ccccc1)NCCCc1ccccc1
• InChI: InChI=1S/C25H24N4O/c30-25(26-18-10-13-20-11-4-1-5-12-20)23-19-29(28-27-23)24(21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,11-12,14-17,19,24H,10,13,18H2,(H,26,30)
• InChIKey: INBJJPABLLFGFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.7059145
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 5.4468126
• LogD (pH = 7.4): 5.446794
• Log P: 5.446813
• Molar Refractivity: 129.7855 cm^3
• Polarizability: 45.17906 Å^3
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.31
• LOG S: -7.18
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 8