ChemSpider 2D Image | 6-Chloro-N~2~-(2,4-difluorobenzyl)-N~4~-(5-methyl-1H-pyrazol-3-yl)-2,4-quinazolinediamine | C19H15ClF2N6

6-Chloro-N2-(2,4-difluorobenzyl)-N4-(5-methyl-1H-pyrazol-3-yl)-2,4-quinazolinediamine

  • Molecular FormulaC19H15ClF2N6
  • Average mass400.812 Da
  • Monoisotopic mass400.101471 Da
  • ChemSpider ID129215066

More details:

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

2,4-Quinazolinediamine, 6-chloro-N2-[(2,4-difluorophenyl)methyl]-N4-(5-methyl-1H-pyrazol-3-yl)- [ACD/Index Name]
6-Chlor-N2-(2,4-difluorbenzyl)-N4-(5-methyl-1H-pyrazol-3-yl)-2,4-chinazolindiamin [German] [ACD/IUPAC Name]
6-Chloro-N2-(2,4-difluorobenzyl)-N4-(5-methyl-1H-pyrazol-3-yl)-2,4-quinazolinediamine [ACD/IUPAC Name]
6-Chloro-N2-(2,4-difluorobenzyl)-N4-(5-méthyl-1H-pyrazol-3-yl)-2,4-quinazolinediamine [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 635.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 338.4±34.3 °C
Index of Refraction: 1.734
Molar Refractivity: 106.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 80.50
ACD/KOC (pH 5.5): 324.96
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1487.38
ACD/KOC (pH 7.4): 6004.35
Polar Surface Area: 79 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 70.2±3.0 dyne/cm
Molar Volume: 264.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement