ChemSpider 2D Image | KT172 | C28H28N4O2

KT172

  • Molecular FormulaC28H28N4O2
  • Average mass452.547 Da
  • Monoisotopic mass452.221222 Da
  • ChemSpider ID28659005

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2-Benzyl-1-piperidinyl)[4-(2'-methoxy-4-biphenylyl)-1H-1,2,3-triazol-1-yl]methanon [German] [ACD/IUPAC Name]
(2-Benzyl-1-piperidinyl)[4-(2'-methoxy-4-biphenylyl)-1H-1,2,3-triazol-1-yl]methanone [ACD/IUPAC Name]
(2-Benzyl-1-pipéridinyl)[4-(2'-méthoxy-4-biphénylyl)-1H-1,2,3-triazol-1-yl]méthanone [French] [ACD/IUPAC Name]
(2-Benzylpiperidin-1-yl)(4-(2'-methoxy-[1,1'-biphenyl]-4-yl)-1H-1,2,3-triazol-1-yl)methanone
[4-(2'-Methoxy[1,1'-biphenyl]-4-yl)-1H-1,2,3-triazol-1-yl][2-(phenylmethyl)-1-piperidinyl]-methanone
1402612-56-9 [RN]
Cravatt Reagent
KT172
Methanone, [4-(2'-methoxy[1,1'-biphenyl]-4-yl)-1H-1,2,3-triazol-1-yl][2-(phenylmethyl)-1-piperidinyl]- [ACD/Index Name]
MFCD26960820

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 636.1±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 338.5±29.3 °C
Index of Refraction: 1.641
Molar Refractivity: 134.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3512.81
ACD/KOC (pH 5.5): 12010.86
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3512.81
ACD/KOC (pH 7.4): 12010.86
Polar Surface Area: 60 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 374.2±7.0 cm3

Click to predict properties on the Chemicalize site


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