ChemSpider 2D Image | [4-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl][(1R,4S)-bicyclo[2.2.2]octa-2,5-dien-2-yl]methanone | C23H27N5O3

[4-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl][(1R,4S)-bicyclo[2.2.2]octa-2,5-dien-2-yl]methanone

  • Molecular FormulaC23H27N5O3
  • Average mass421.492 Da
  • Monoisotopic mass421.211395 Da
  • ChemSpider ID60499090

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[4-(4-Amino-6,7-dimethoxy-2-chinazolinyl)-1-piperazinyl][(1R,4S)-bicyclo[2.2.2]octa-2,5-dien-2-yl]methanon [German] [ACD/IUPAC Name]
[4-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl][(1R,4S)-bicyclo[2.2.2]octa-2,5-dien-2-yl]methanone [ACD/IUPAC Name]
[4-(4-Amino-6,7-diméthoxy-2-quinazolinyl)-1-pipérazinyl][(1R,4S)-bicyclo[2.2.2]octa-2,5-dién-2-yl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-(1R,4S)-bicyclo[2.2.2]octa-2,5-dien-2-yl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 706.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 381.1±35.7 °C
Index of Refraction: 1.666
Molar Refractivity: 118.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.22
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 6.95
ACD/KOC (pH 7.4): 133.97
Polar Surface Area: 94 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 64.5±3.0 dyne/cm
Molar Volume: 318.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement