ChemSpider 2D Image | N-{4-[(3-Chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydro-3-furanyloxy]-6-quinazolinyl}-4-(dimethylamino)butanamide | C24H27ClFN5O3

N-{4-[(3-Chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydro-3-furanyloxy]-6-quinazolinyl}-4-(dimethylamino)butanamide

  • Molecular FormulaC24H27ClFN5O3
  • Average mass487.954 Da
  • Monoisotopic mass487.178650 Da
  • ChemSpider ID35033491

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Butanamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)- [ACD/Index Name]
N-{4-[(3-Chlor-4-fluorphenyl)amino]-7-[(3S)-tetrahydro-3-furanyloxy]-6-chinazolinyl}-4-(dimethylamino)butanamid [German] [ACD/IUPAC Name]
N-{4-[(3-Chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydro-3-furanyloxy]-6-quinazolinyl}-4-(dimethylamino)butanamide [ACD/IUPAC Name]
N-{4-[(3-Chloro-4-fluorophényl)amino]-7-[(3S)-tétrahydro-3-furanyloxy]-6-quinazolinyl}-4-(diméthylamino)butanamide [French] [ACD/IUPAC Name]
N-{4-[(3-Chloro-4-Fluorophenyl)amino]-7-[(3s)-Tetrahydrofuran-3-Yloxy]quinazolin-6-Yl}-4-(Dimethylamino)butanamide
(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide
0WM

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

Density: 1.4±0.1 g/cm3
Boiling Point: 653.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 349.1±31.5 °C
Index of Refraction: 1.653
Molar Refractivity: 131.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.86
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 8.95
ACD/KOC (pH 7.4): 55.93
Polar Surface Area: 89 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 358.4±3.0 cm3

Click to predict properties on the Chemicalize site


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