ChemSpider 2D Image | 2-Methyl-1-(4-{4-[(2-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl)amino]phenyl}-1-piperazinyl)-1-propanone | C29H33N7O

2-Methyl-1-(4-{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 FormulaC29H33N7O
  • Average mass495.619 Da
  • Monoisotopic mass495.274658 Da
  • ChemSpider ID28950402

More details:

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

1-Propanone, 2-methyl-1-[4-[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]
2-Methyl-1-(4-{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]
2-Methyl-1-(4-{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]
2-Méthyl-1-(4-{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]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.705
Molar Refractivity: 145.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1118.82
ACD/KOC (pH 5.5): 5275.04
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1133.92
ACD/KOC (pH 7.4): 5346.23
Polar Surface Area: 79 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 54.5±7.0 dyne/cm
Molar Volume: 374.5±7.0 cm3

Click to predict properties on the Chemicalize site


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