ChemSpider 2D Image | 1-[4-(12-Phenyl-9H-pyrido[2,3-b][1,2,4]triazolo[4,3-d][1,4]benzodiazepin-3-yl)phenyl]cyclobutanamine | C29H24N6

1-[4-(12-Phenyl-9H-pyrido[2,3-b][1,2,4]triazolo[4,3-d][1,4]benzodiazepin-3-yl)phenyl]cyclobutanamine

  • Molecular FormulaC29H24N6
  • Average mass456.541 Da
  • Monoisotopic mass456.206238 Da
  • ChemSpider ID34954670

More details:

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

1-[4-(12-Phenyl-9H-pyrido[2,3-b][1,2,4]triazolo[4,3-d][1,4]benzodiazepin-3-yl)phenyl]cyclobutanamin [German] [ACD/IUPAC Name]
1-[4-(12-Phenyl-9H-pyrido[2,3-b][1,2,4]triazolo[4,3-d][1,4]benzodiazepin-3-yl)phenyl]cyclobutanamine [ACD/IUPAC Name]
1-[4-(12-Phényl-9H-pyrido[2,3-b][1,2,4]triazolo[4,3-d][1,4]benzodiazépin-3-yl)phényl]cyclobutanamine [French] [ACD/IUPAC Name]
Cyclobutanamine, 1-[4-(12-phenyl-9H-pyrido[2,3-b]-1,2,4-triazolo[4,3-d][1,4]benzodiazepin-3-yl)phenyl]- [ACD/Index Name]
US8541407, 228

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

Density: 1.4±0.1 g/cm3
Boiling Point: 751.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 408.3±35.7 °C
Index of Refraction: 1.766
Molar Refractivity: 137.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.39
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 11.63
ACD/KOC (pH 5.5): 28.69
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 239.85
ACD/KOC (pH 7.4): 591.59
Polar Surface Area: 82 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 61.1±7.0 dyne/cm
Molar Volume: 331.1±7.0 cm3

Click to predict properties on the Chemicalize site


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