ChemSpider 2D Image | 1-{2-Methyl-4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1-piperazinyl}-2-phenyl-1-butanone | C30H29N7O3

1-{2-Methyl-4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1-piperazinyl}-2-phenyl-1-butanone

  • Molecular FormulaC30H29N7O3
  • Average mass535.596 Da
  • Monoisotopic mass535.233215 Da
  • ChemSpider ID22730910

More details:

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

1-{2-Methyl-4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]chinazolin-5-yl]-1-piperazinyl}-2-phenyl-1-butanon [German] [ACD/IUPAC Name]
1-{2-Methyl-4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1-piperazinyl}-2-phenyl-1-butanone [ACD/IUPAC Name]
1-{2-Méthyl-4-[3-(2-nitrophényl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1-pipérazinyl}-2-phényl-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-[2-methyl-4-[3-(2-nitrophenyl)-1,2,4-triazolo[4,3-c]quinazolin-5-yl]-1-piperazinyl]-2-phenyl- [ACD/Index 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: 1.709
Molar Refractivity: 152.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1511.36
ACD/KOC (pH 5.5): 6567.01
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1511.62
ACD/KOC (pH 7.4): 6568.15
Polar Surface Area: 112 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 58.5±7.0 dyne/cm
Molar Volume: 391.0±7.0 cm3

Click to predict properties on the Chemicalize site


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