N-[(1-phenylcyclopentyl)methyl]-1-(3-phenylpropyl)-1H-1,2,3-triazole-4-carboxamide

• ChemBase ID: 659169
• Molecular Formular: C24H28N4O
• Molecular Mass: 388.50532
• Monoisotopic Mass: 388.22631154
• SMILES: c1(nnn(c1)CCCc1ccccc1)C(=O)NCC1(c2ccccc2)CCCC1
• Canonical SMILES: O=C(c1nnn(c1)CCCc1ccccc1)NCC1(CCCC1)c1ccccc1
• InChI: InChI=1S/C24H28N4O/c29-23(25-19-24(15-7-8-16-24)21-13-5-2-6-14-21)22-18-28(27-26-22)17-9-12-20-10-3-1-4-11-20/h1-6,10-11,13-14,18H,7-9,12,15-17,19H2,(H,25,29)
• InChIKey: JHEZBGCZHUJBRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-phenylcyclopentyl)methyl]-1-(3-phenylpropyl)-1H-1,2,3-triazole-4-carboxamide
• IUPAC Traditional name: N-[(1-phenylcyclopentyl)methyl]-1-(3-phenylpropyl)-1,2,3-triazole-4-carboxamide
• Synonyms: N-[(1-phenylcyclopentyl)methyl]-1-(3-phenylpropyl)-1H-1,2,3-triazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.720944
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 5.119619
• LogD (pH = 7.4): 5.119601
• Log P: 5.1196194
• Molar Refractivity: 126.5272 cm^3
• Polarizability: 43.98342 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: 4.84
• LOG S: -6.79
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 8