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

• ChemBase ID: 550910
• Molecular Formular: C18H24N4O
• Molecular Mass: 312.40936
• Monoisotopic Mass: 312.19501141
• SMILES: c1(nnn(c1)CCc1ccccc1)C(=O)N(C1CCCCC1)C
• Canonical SMILES: CN(C(=O)c1nnn(c1)CCc1ccccc1)C1CCCCC1
• InChI: InChI=1S/C18H24N4O/c1-21(16-10-6-3-7-11-16)18(23)17-14-22(20-19-17)13-12-15-8-4-2-5-9-15/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3
• InChIKey: HZUZBDGNPSKBOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.5164776
• LogD (pH = 7.4): 3.5164776
• Log P: 3.5164776
• Molar Refractivity: 102.2 cm^3
• Polarizability: 34.383434 Å^3
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.52
• LOG S: -4.52
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 5