ChemSpider 2D Image | JNJ-42165279 | C18H17ClF2N4O3

JNJ-42165279

  • Molecular FormulaC18H17ClF2N4O3
  • Average mass410.802 Da
  • Monoisotopic mass410.095734 Da
  • ChemSpider ID45743462

More details:






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

1346528-50-4 [RN]
1-Piperazinecarboxamide, N-(4-chloro-3-pyridinyl)-4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]- [ACD/Index Name]
JNJ-42165279 [Wiki]
N-(4-Chlor-3-pyridinyl)-4-[(2,2-difluor-1,3-benzodioxol-5-yl)methyl]-1-piperazincarboxamid [German] [ACD/IUPAC Name]
N-(4-Chloro-3-pyridinyl)-4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1-piperazinecarboxamide [ACD/IUPAC Name]
N-(4-Chloro-3-pyridinyl)-4-[(2,2-difluoro-1,3-benzodioxol-5-yl)méthyl]-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
Example 1 [WO2011139951 A1]
JNJ42165279
JNJ42165279;JNJ 42165279
N-(4-Chloropyridin-3-yl)-4-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)methyl)piperazine-1-carboxamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AH2E5UQ11Y [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 541.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 281.1±30.1 °C
Index of Refraction: 1.643
Molar Refractivity: 97.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 17.02
ACD/KOC (pH 5.5): 197.30
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 46.83
ACD/KOC (pH 7.4): 542.76
Polar Surface Area: 67 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 66.0±5.0 dyne/cm
Molar Volume: 270.0±5.0 cm3

Click to predict properties on the Chemicalize site





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