ChemSpider 2D Image | 4-(10-Phenylbis[1,2,4]triazolo[4,3-a:1',5'-c]quinazolin-3-yl)-1-(4-phenyl-3,6-dihydro-1(2H)-pyridinyl)-1-butanone | C31H27N7O

4-(10-Phenylbis[1,2,4]triazolo[4,3-a:1',5'-c]quinazolin-3-yl)-1-(4-phenyl-3,6-dihydro-1(2H)-pyridinyl)-1-butanone

  • Molecular FormulaC31H27N7O
  • Average mass513.592 Da
  • Monoisotopic mass513.227722 Da
  • ChemSpider ID20277199

More details:

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

1-Butanone, 1-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)-4-(10-phenyl-1,2,4-triazolo[4,3-a][1,2,4]triazolo[1,5-c]quinazolin-3-yl)- [ACD/Index Name]
4-(10-Phenylbis[1,2,4]triazolo[4,3-a:1',5'-c]chinazolin-3-yl)-1-(4-phenyl-3,6-dihydro-1(2H)-pyridinyl)-1-butanon [German] [ACD/IUPAC Name]
4-(10-Phenylbis[1,2,4]triazolo[4,3-a:1',5'-c]quinazolin-3-yl)-1-(4-phenyl-3,6-dihydro-1(2H)-pyridinyl)-1-butanone [ACD/IUPAC Name]
4-(10-Phénylbis[1,2,4]triazolo[4,3-a:1',5'-c]quinazolin-3-yl)-1-(4-phényl-3,6-dihydro-1(2H)-pyridinyl)-1-butanone [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.736
Molar Refractivity: 152.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.94
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2700.71
ACD/KOC (pH 5.5): 9950.48
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2700.79
ACD/KOC (pH 7.4): 9950.75
Polar Surface Area: 81 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 59.5±7.0 dyne/cm
Molar Volume: 379.8±7.0 cm3

Click to predict properties on the Chemicalize site


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