ChemSpider 2D Image | 5-({4-[4-(2-Fluorophenyl)-1-piperazinyl]-6-[(3-methylbutyl)amino]-1,3,5-triazin-2-yl}amino)-2-methyl-1H-isoindole-1,3(2H)-dione | C27H31FN8O2

5-({4-[4-(2-Fluorophenyl)-1-piperazinyl]-6-[(3-methylbutyl)amino]-1,3,5-triazin-2-yl}amino)-2-methyl-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC27H31FN8O2
  • Average mass518.586 Da
  • Monoisotopic mass518.255371 Da
  • ChemSpider ID124611766

More details:

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

1H-Isoindole-1,3(2H)-dione, 5-[[4-[4-(2-fluorophenyl)-1-piperazinyl]-6-[(3-methylbutyl)amino]-1,3,5-triazin-2-yl]amino]-2-methyl- [ACD/Index Name]
5-({4-[4-(2-Fluorophenyl)-1-piperazinyl]-6-[(3-methylbutyl)amino]-1,3,5-triazin-2-yl}amino)-2-methyl-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
5-({4-[4-(2-Fluorophényl)-1-pipérazinyl]-6-[(3-méthylbutyl)amino]-1,3,5-triazin-2-yl}amino)-2-méthyl-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
5-({4-[4-(2-Fluorphenyl)-1-piperazinyl]-6-[(3-methylbutyl)amino]-1,3,5-triazin-2-yl}amino)-2-methyl-1H-isoindol-1,3(2H)-dion [German] [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: 706.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 381.0±35.7 °C
Index of Refraction: 1.659
Molar Refractivity: 142.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 54.31
ACD/KOC (pH 5.5): 419.88
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 192.62
ACD/KOC (pH 7.4): 1489.28
Polar Surface Area: 107 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 67.0±3.0 dyne/cm
Molar Volume: 385.9±3.0 cm3

Click to predict properties on the Chemicalize site


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