ChemSpider 2D Image | PF-04827736 | C17H21N5O2

PF-04827736

  • Molecular FormulaC17H21N5O2
  • Average mass327.381 Da
  • Monoisotopic mass327.169525 Da
  • ChemSpider ID35033417

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-7,8-Dimethoxy-N-[1-methyl-2-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-quinazolinamine
4-Quinazolinamine, 7,8-dimethoxy-N-[(1S)-1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]- [ACD/Index Name]
7,8-Dimethoxy-N-[(2S)-1-(3-methyl-1H-pyrazol-5-yl)-2-propanyl]-4-chinazolinamin [German] [ACD/IUPAC Name]
7,8-Dimethoxy-N-[(2S)-1-(3-methyl-1H-pyrazol-5-yl)-2-propanyl]-4-quinazolinamine [ACD/IUPAC Name]
7,8-Diméthoxy-N-[(2S)-1-(3-méthyl-1H-pyrazol-5-yl)-2-propanyl]-4-quinazolinamine [French] [ACD/IUPAC Name]
7,8-Dimethoxy-N-[(2s)-1-(3-Methyl-1h-Pyrazol-5-Yl)propan-2-Yl]quinazolin-4-Amine
PF-04827736
0NY

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

Density: 1.3±0.1 g/cm3
Boiling Point: 571.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 299.3±30.1 °C
Index of Refraction: 1.647
Molar Refractivity: 94.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 19.13
ACD/KOC (pH 5.5): 175.14
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 103.60
ACD/KOC (pH 7.4): 948.67
Polar Surface Area: 85 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 259.4±3.0 cm3

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