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Search term: RZKGYUBITDXCBT-ZJWBFHOUSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | [(4aR,8aS)-4-(4-Amino-6,7-dimethoxy-2-quinazolinyl)octahydro-1(2H)-quinoxalinyl](2,3-dihydro-1,4-benzodioxin-2-yl)methanone | C27H31N5O5

[(4aR,8aS)-4-(4-Amino-6,7-dimethoxy-2-quinazolinyl)octahydro-1(2H)-quinoxalinyl](2,3-dihydro-1,4-benzodioxin-2-yl)methanone

  • Molecular FormulaC27H31N5O5
  • Average mass505.565 Da
  • Monoisotopic mass505.232513 Da
  • ChemSpider ID24629635

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

[(4aR,8aS)-4-(4-Amino-6,7-dimethoxy-2-chinazolinyl)octahydro-1(2H)-chinoxalinyl](2,3-dihydro-1,4-benzodioxin-2-yl)methanon [German] [ACD/IUPAC Name]
[(4aR,8aS)-4-(4-Amino-6,7-dimethoxy-2-quinazolinyl)octahydro-1(2H)-quinoxalinyl](2,3-dihydro-1,4-benzodioxin-2-yl)methanone [ACD/IUPAC Name]
[(4aR,8aS)-4-(4-Amino-6,7-diméthoxy-2-quinazolinyl)octahydro-1(2H)-quinoxalinyl](2,3-dihydro-1,4-benzodioxin-2-yl)méthanone [French] [ACD/IUPAC Name]
Methanone, [(4aR,8aS)-4-(4-amino-6,7-dimethoxy-2-quinazolinyl)octahydro-1(2H)-quinoxalinyl](2,3-dihydro-1,4-benzodioxin-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: 750.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 407.6±35.7 °C
Index of Refraction: 1.642
Molar Refractivity: 137.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.81
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.18
Polar Surface Area: 112 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 381.2±3.0 cm3

Click to predict properties on the Chemicalize site


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