ChemSpider 2D Image | (6E)-4-Fluoro-6-[4-{[4-(2-hydroxy-2-propanyl)-3-pyrrolidinyl]amino}-6,7-dimethoxy-2(1H)-quinazolinylidene]-2,4-cyclohexadien-1-one | C23H27FN4O4

(6E)-4-Fluoro-6-[4-{[4-(2-hydroxy-2-propanyl)-3-pyrrolidinyl]amino}-6,7-dimethoxy-2(1H)-quinazolinylidene]-2,4-cyclohexadien-1-one

  • Molecular FormulaC23H27FN4O4
  • Average mass442.483 Da
  • Monoisotopic mass442.201630 Da
  • ChemSpider ID30922864

  • Double-bond stereo - Double-bond stereo

More details:

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

(6E)-4-Fluor-6-[4-{[4-(2-hydroxy-2-propanyl)-3-pyrrolidinyl]amino}-6,7-dimethoxy-2(1H)-chinazolinyliden]-2,4-cyclohexadien-1-on [German] [ACD/IUPAC Name]
(6E)-4-Fluoro-6-[4-{[4-(2-hydroxy-2-propanyl)-3-pyrrolidinyl]amino}-6,7-dimethoxy-2(1H)-quinazolinylidene]-2,4-cyclohexadien-1-one [ACD/IUPAC Name]
(6E)-4-Fluoro-6-[4-{[4-(2-hydroxy-2-propanyl)-3-pyrrolidinyl]amino}-6,7-diméthoxy-2(1H)-quinazolinylidène]-2,4-cyclohexadién-1-one [French] [ACD/IUPAC Name]
2,4-Cyclohexadien-1-one, 4-fluoro-6-[4-[[4-(1-hydroxy-1-methylethyl)-3-pyrrolidinyl]amino]-6,7-dimethoxy-2(1H)-quinazolinylidene]-, (6E)- [ACD/Index Name]
1262849-73-9 [RN]
CCT 241533;CCT-241533

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

Density: 1.4±0.1 g/cm3
Boiling Point: 592.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 312.1±30.1 °C
Index of Refraction: 1.637
Molar Refractivity: 114.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.08
ACD/LogD (pH 5.5): -2.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 47.0±7.0 dyne/cm
Molar Volume: 319.6±7.0 cm3

Click to predict properties on the Chemicalize site


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