ChemSpider 2D Image | 2-(1-Azepanylmethyl)-N-(2-phenylethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-4-quinazolinamine | C29H30F3N5

2-(1-Azepanylmethyl)-N-(2-phenylethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-4-quinazolinamine

  • Molecular FormulaC29H30F3N5
  • Average mass505.577 Da
  • Monoisotopic mass505.245331 Da
  • ChemSpider ID9722695

More details:

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

2-(1-Azepanylmethyl)-N-(2-phenylethyl)-7-[3-(trifluormethyl)-2-pyridinyl]-4-chinazolinamin [German] [ACD/IUPAC Name]
2-(1-Azepanylmethyl)-N-(2-phenylethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-4-quinazolinamine [ACD/IUPAC Name]
2-(1-Azépanylméthyl)-N-(2-phényléthyl)-7-[3-(trifluorométhyl)-2-pyridinyl]-4-quinazolinamine [French] [ACD/IUPAC Name]
4-Quinazolinamine, 2-[(hexahydro-1H-azepin-1-yl)methyl]-N-(2-phenylethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]- [ACD/Index 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: 597.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 315.0±30.1 °C
Index of Refraction: 1.616
Molar Refractivity: 140.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.52
ACD/LogD (pH 5.5): 4.75
ACD/BCF (pH 5.5): 858.67
ACD/KOC (pH 5.5): 1308.62
ACD/LogD (pH 7.4): 6.30
ACD/BCF (pH 7.4): 30934.54
ACD/KOC (pH 7.4): 47144.44
Polar Surface Area: 54 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 402.8±3.0 cm3

Click to predict properties on the Chemicalize site


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