Found 2 results

Search term: AJYXMSYQSGNDCT (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-[5-{[4-(Diethylamino)benzyl]amino}-3-(3-pyridinyl)-1H-1,2,4-triazol-1-yl]-3-phenyl-2-propen-1-one | C27H28N6O

1-[5-{[4-(Diethylamino)benzyl]amino}-3-(3-pyridinyl)-1H-1,2,4-triazol-1-yl]-3-phenyl-2-propen-1-one

  • Molecular FormulaC27H28N6O
  • Average mass452.551 Da
  • Monoisotopic mass452.232452 Da
  • ChemSpider ID35418547

More details:

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

1-[5-{[4-(Diethylamino)benzyl]amino}-3-(3-pyridinyl)-1H-1,2,4-triazol-1-yl]-3-phenyl-2-propen-1-on [German] [ACD/IUPAC Name]
1-[5-{[4-(Diethylamino)benzyl]amino}-3-(3-pyridinyl)-1H-1,2,4-triazol-1-yl]-3-phenyl-2-propen-1-one [ACD/IUPAC Name]
1-[5-{[4-(Diéthylamino)benzyl]amino}-3-(3-pyridinyl)-1H-1,2,4-triazol-1-yl]-3-phényl-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-[5-[[[4-(diethylamino)phenyl]methyl]amino]-3-(3-pyridinyl)-1H-1,2,4-triazol-1-yl]-3-phenyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 685.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 368.2±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 137.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.88
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 461.60
ACD/KOC (pH 5.5): 1514.67
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 3689.03
ACD/KOC (pH 7.4): 12104.92
Polar Surface Area: 76 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 46.6±7.0 dyne/cm
Molar Volume: 388.7±7.0 cm3

Click to predict properties on the Chemicalize site


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