ChemSpider 2D Image | 4-{2-Amino-3-[5-fluoro-2-(methylamino)-6-quinazolinyl]-4-methylbenzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one | C33H27FN6O2

4-{2-Amino-3-[5-fluoro-2-(methylamino)-6-quinazolinyl]-4-methylbenzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC33H27FN6O2
  • Average mass558.605 Da
  • Monoisotopic mass558.217957 Da
  • ChemSpider ID35035348

More details:

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

3H-Pyrazol-3-one, 4-[2-amino-3-[5-fluoro-2-(methylamino)-6-quinazolinyl]-4-methylbenzoyl]-1,2-dihydro-1-methyl-2,5-diphenyl- [ACD/Index Name]
4-{2-Amino-3-[5-fluor-2-(methylamino)-6-chinazolinyl]-4-methylbenzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
4-{2-Amino-3-[5-fluoro-2-(methylamino)-6-quinazolinyl]-4-methylbenzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
4-{2-Amino-3-[5-fluoro-2-(méthylamino)-6-quinazolinyl]-4-méthylbenzoyl}-1-méthyl-2,5-diphényl-1,2-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
4-{2-Amino-3-[5-Fluoro-2-(Methylamino)quinazolin-6-Yl]-4-Methylbenzoyl}-1-Methyl-2,5-Diphenyl-1,2-Dihydro-3h-Pyrazol-3-One
3Z3

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

Density: 1.4±0.1 g/cm3
Boiling Point: 740.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 401.6±35.7 °C
Index of Refraction: 1.716
Molar Refractivity: 161.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 1235.08
ACD/KOC (pH 5.5): 5366.41
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1507.53
ACD/KOC (pH 7.4): 6550.18
Polar Surface Area: 104 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 67.1±3.0 dyne/cm
Molar Volume: 410.1±3.0 cm3

Click to predict properties on the Chemicalize site


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