ChemSpider 2D Image | JNJ-39393406 | C19H18F2N6O3

JNJ-39393406

  • Molecular FormulaC19H18F2N6O3
  • Average mass416.381 Da
  • Monoisotopic mass416.140839 Da
  • ChemSpider ID28424208

More details:






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

1H-1,2,4-Triazole-1-propanamide, 3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N,N-dimethyl-5-(4-pyridinyl)- [ACD/Index Name]
3-{3-[(2,2-Difluor-1,3-benzodioxol-5-yl)amino]-5-(4-pyridinyl)-1H-1,2,4-triazol-1-yl}-N,N-dimethylpropanamid [German] [ACD/IUPAC Name]
3-{3-[(2,2-Difluoro-1,3-benzodioxol-5-yl)amino]-5-(4-pyridinyl)-1H-1,2,4-triazol-1-yl}-N,N-dimethylpropanamide [ACD/IUPAC Name]
3-{3-[(2,2-Difluoro-1,3-benzodioxol-5-yl)amino]-5-(4-pyridinyl)-1H-1,2,4-triazol-1-yl}-N,N-diméthylpropanamide [French] [ACD/IUPAC Name]
953428-73-4 [RN]
JNJ-39393406
3-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-5-(4-pyridyl)-1,2,4-triazol-1-yl]-N,N-dimethylpropanamide
3-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-5-(4-pyridyl)-1,2,4-triazol-1-yl]-N,N-dimethyl-propanamide
3-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-5-(4-pyridyl)-1,2,4-triazol-1-yl]-N,N-dimethyl-propionamide
3-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-5-pyridin-4-yl-1,2,4-triazol-1-yl]-N,N-dimethylpropanamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

T930SOU82P [DBID]
UNII:T930SOU82P [DBID]
UNII-T930SOU82P [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 585.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 307.9±32.9 °C
Index of Refraction: 1.649
Molar Refractivity: 103.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 36.05
ACD/KOC (pH 5.5): 452.86
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 36.06
ACD/KOC (pH 7.4): 453.05
Polar Surface Area: 94 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 284.3±7.0 cm3

Click to predict properties on the Chemicalize site





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