ChemSpider 2D Image | Methyl 4-{4-[1-(6-fluoro-4-methyl-2-quinazolinyl)prolyl]-1-piperazinyl}benzoate | C26H28FN5O3

Methyl 4-{4-[1-(6-fluoro-4-methyl-2-quinazolinyl)prolyl]-1-piperazinyl}benzoate

  • Molecular FormulaC26H28FN5O3
  • Average mass477.531 Da
  • Monoisotopic mass477.217621 Da
  • ChemSpider ID22191742

More details:






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

4-{4-[1-(6-Fluoro-4-méthyl-2-quinazolinyl)prolyl]-1-pipérazinyl}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[4-[[1-(6-fluoro-4-methyl-2-quinazolinyl)-2-pyrrolidinyl]carbonyl]-1-piperazinyl]-, methyl ester [ACD/Index Name]
Methyl 4-{4-[1-(6-fluoro-4-methyl-2-quinazolinyl)prolyl]-1-piperazinyl}benzoate [ACD/IUPAC Name]
Methyl-4-{4-[1-(6-fluor-4-methyl-2-chinazolinyl)prolyl]-1-piperazinyl}benzoat [German] [ACD/IUPAC Name]
METHYL 4-{4-[1-(6-FLUORO-4-METHYLQUINAZOLIN-2-YL)PYRROLIDINE-2-CARBONYL]PIPERAZIN-1-YL}BENZOATE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 717.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 387.9±35.7 °C
Index of Refraction: 1.633
Molar Refractivity: 129.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 84.69
ACD/KOC (pH 5.5): 645.14
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 205.88
ACD/KOC (pH 7.4): 1568.22
Polar Surface Area: 79 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 363.0±3.0 cm3

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