ChemSpider 2D Image | (2E)-N-{4-[(3-Chloro-4-fluorophenyl)amino]-7-[(3S)-(2,2,5,5-~2~H_4_)tetrahydro-3-furanyloxy]-6-quinazolinyl}-4-(dimethylamino)-2-butenamide | C24H21D4ClFN5O3

(2E)-N-{4-[(3-Chloro-4-fluorophenyl)amino]-7-[(3S)-(2,2,5,5-2H4)tetrahydro-3-furanyloxy]-6-quinazolinyl}-4-(dimethylamino)-2-butenamide

  • Molecular FormulaC24H21D4ClFN5O3
  • Average mass489.963 Da
  • Monoisotopic mass489.188110 Da
  • ChemSpider ID58781674

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2E)-N-{4-[(3-Chlor-4-fluorphenyl)amino]-7-[(3S)-(2,2,5,5-2H4)tetrahydro-3-furanyloxy]-6-chinazolinyl}-4-(dimethylamino)-2-butenamid [German] [ACD/IUPAC Name]
(2E)-N-{4-[(3-Chloro-4-fluorophenyl)amino]-7-[(3S)-(2,2,5,5-2H4)tetrahydro-3-furanyloxy]-6-quinazolinyl}-4-(dimethylamino)-2-butenamide [ACD/IUPAC Name]
(2E)-N-{4-[(3-Chloro-4-fluorophényl)amino]-7-[(3S)-(2,2,5,5-2H4)tétrahydro-3-furanyloxy]-6-quinazolinyl}-4-(diméthylamino)-2-buténamide [French] [ACD/IUPAC Name]
2-Butenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-2,5-d2-3-furanyl-2,5-d2]oxy]-6-quinazolinyl]-4-(dimethylamino)-, (2E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 676.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 363.2±31.5 °C
Index of Refraction: 1.668
Molar Refractivity: 131.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.44
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 65.93
ACD/KOC (pH 7.4): 483.19
Polar Surface Area: 89 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 352.0±3.0 cm3

Click to predict properties on the Chemicalize site


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