ChemSpider 2D Image | (4-{2-[(4S)-6-Chloro-2-methyl-4-phenyl-3(4H)-quinazolinyl]ethyl}-1-piperazinyl)(2-furyl)methanone | C26H27ClN4O2

(4-{2-[(4S)-6-Chloro-2-methyl-4-phenyl-3(4H)-quinazolinyl]ethyl}-1-piperazinyl)(2-furyl)methanone

  • Molecular FormulaC26H27ClN4O2
  • Average mass462.971 Da
  • Monoisotopic mass462.182251 Da
  • ChemSpider ID25059032

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4-{2-[(4S)-6-Chlor-2-methyl-4-phenyl-3(4H)-chinazolinyl]ethyl}-1-piperazinyl)(2-furyl)methanon [German] [ACD/IUPAC Name]
(4-{2-[(4S)-6-Chloro-2-methyl-4-phenyl-3(4H)-quinazolinyl]ethyl}-1-piperazinyl)(2-furyl)methanone [ACD/IUPAC Name]
(4-{2-[(4S)-6-Chloro-2-méthyl-4-phényl-3(4H)-quinazolinyl]éthyl}-1-pipérazinyl)(2-furyl)méthanone [French] [ACD/IUPAC Name]
(4s)-6-Chloro-3-{2-[4-(Furan-2-Ylcarbonyl)piperazin-1-Yl]ethyl}-2-Methyl-4-Phenyl-3,4-Dihydroquinazoline
Methanone, [4-[2-[(4S)-6-chloro-2-methyl-4-phenyl-3(4H)-quinazolinyl]ethyl]-1-piperazinyl]-2-furanyl- [ACD/Index Name]
WP7

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

Density: 1.3±0.1 g/cm3
Boiling Point: 617.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 327.3±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 131.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.83
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 83.23
ACD/KOC (pH 7.4): 660.94
Polar Surface Area: 52 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 50.4±7.0 dyne/cm
Molar Volume: 357.5±7.0 cm3

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