ChemSpider 2D Image | 1-(4-{2-Chloro-4-[(2-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl)amino]phenyl}-1-piperazinyl)-1-propanone | C28H30ClN7O

1-(4-{2-Chloro-4-[(2-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl)amino]phenyl}-1-piperazinyl)-1-propanone

  • Molecular FormulaC28H30ClN7O
  • Average mass516.037 Da
  • Monoisotopic mass515.220032 Da
  • ChemSpider ID28950406

More details:

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

1-(4-{2-Chlor-4-[(2-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]chinazolin-9-yl)amino]phenyl}-1-piperazinyl)-1-propanon [German] [ACD/IUPAC Name]
1-(4-{2-Chloro-4-[(2-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl)amino]phenyl}-1-piperazinyl)-1-propanone [ACD/IUPAC Name]
1-(4-{2-Chloro-4-[(2-phényl-5,6,7,8-tétrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl)amino]phényl}-1-pipérazinyl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[4-[2-chloro-4-[(5,6,7,8-tetrahydro-2-phenyl[1,2,4]triazolo[5,1-b]quinazolin-9-yl)amino]phenyl]-1-piperazinyl]- [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: 1.721
Molar Refractivity: 145.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 5.08
ACD/BCF (pH 5.5): 4296.67
ACD/KOC (pH 5.5): 13858.45
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4312.99
ACD/KOC (pH 7.4): 13911.10
Polar Surface Area: 79 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 57.5±7.0 dyne/cm
Molar Volume: 368.6±7.0 cm3

Click to predict properties on the Chemicalize site


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