ChemSpider 2D Image | PND1186 | C25H26F3N5O3

PND1186

  • Molecular FormulaC25H26F3N5O3
  • Average mass501.501 Da
  • Monoisotopic mass501.198761 Da
  • ChemSpider ID30841484

More details:

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

1061353-68-1 [RN]
2-[(2-{[2-METHOXY-4-(MORPHOLIN-4-YL)PHENYL]AMINO}-5-(TRIFLUOROMETHYL)PYRIDIN-4-YL)AMINO]-N-METHYLBENZAMIDE
2-{[2-{[2-Methoxy-4-(4-morpholinyl)phenyl]amino}-5-(trifluormethyl)-4-pyridinyl]amino}-N-methylbenzamid [German] [ACD/IUPAC Name]
2-{[2-{[2-Methoxy-4-(4-morpholinyl)phenyl]amino}-5-(trifluoromethyl)-4-pyridinyl]amino}-N-methylbenzamide [ACD/IUPAC Name]
2-{[2-{[2-Méthoxy-4-(4-morpholinyl)phényl]amino}-5-(trifluorométhyl)-4-pyridinyl]amino}-N-méthylbenzamide [French] [ACD/IUPAC Name]
Benzamide, 2-[[2-[[2-methoxy-4-(4-morpholinyl)phenyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl- [ACD/Index Name]
L2BD0MW4OL
PND-1168
PND1186
VS-4718
More...

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

PubChem Substance ID 329825761 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 654.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 349.3±31.5 °C
Index of Refraction: 1.609
Molar Refractivity: 130.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 4.48
ACD/BCF (pH 5.5): 1252.43
ACD/KOC (pH 5.5): 4656.89
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2580.35
ACD/KOC (pH 7.4): 9594.49
Polar Surface Area: 88 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 375.9±3.0 cm3

Click to predict properties on the Chemicalize site


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