ChemSpider 2D Image | N-{2-[(N,N-Diethylglycyl)amino]-5-(trifluoromethyl)phenyl}-4-methyl-3-[2-(methylamino)-6-quinazolinyl]benzamide | C30H31F3N6O2

N-{2-[(N,N-Diethylglycyl)amino]-5-(trifluoromethyl)phenyl}-4-methyl-3-[2-(methylamino)-6-quinazolinyl]benzamide

  • Molecular FormulaC30H31F3N6O2
  • Average mass564.601 Da
  • Monoisotopic mass564.246033 Da
  • ChemSpider ID13122510

More details:

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

Benzamide, N-[2-[[2-(diethylamino)acetyl]amino]-5-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)-6-quinazolinyl]- [ACD/Index Name]
N-{2-[(N,N-Diethylglycyl)amino]-5-(trifluormethyl)phenyl}-4-methyl-3-[2-(methylamino)-6-chinazolinyl]benzamid [German] [ACD/IUPAC Name]
N-{2-[(N,N-Diethylglycyl)amino]-5-(trifluoromethyl)phenyl}-4-methyl-3-[2-(methylamino)-6-quinazolinyl]benzamide [ACD/IUPAC Name]
N-{2-[(N,N-Diéthylglycyl)amino]-5-(trifluorométhyl)phényl}-4-méthyl-3-[2-(méthylamino)-6-quinazolinyl]benzamide [French] [ACD/IUPAC Name]
N-{2-[(N,N-diethylglycyl)amino]-5-(trifluoromethyl)phenyl}-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide
1N8
CHEMBL212953

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: 1.643
Molar Refractivity: 155.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 45.37
ACD/KOC (pH 5.5): 118.81
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 3112.87
ACD/KOC (pH 7.4): 8151.43
Polar Surface Area: 99 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 429.8±3.0 cm3

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