ChemSpider 2D Image | N-{4-[(3-Chloro-4-fluorophenyl)amino]-7-[(3R)-tetrahydro-3-furanyloxy]-6-quinazolinyl}-4-(dimethylamino)-2-butenamide | C24H25ClFN5O3

N-{4-[(3-Chloro-4-fluorophenyl)amino]-7-[(3R)-tetrahydro-3-furanyloxy]-6-quinazolinyl}-4-(dimethylamino)-2-butenamide

  • Molecular FormulaC24H25ClFN5O3
  • Average mass485.938 Da
  • Monoisotopic mass485.162994 Da
  • ChemSpider ID57580291

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Butenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3R)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)- [ACD/Index Name]
N-{4-[(3-Chlor-4-fluorphenyl)amino]-7-[(3R)-tetrahydro-3-furanyloxy]-6-chinazolinyl}-4-(dimethylamino)-2-butenamid [German] [ACD/IUPAC Name]
N-{4-[(3-Chloro-4-fluorophenyl)amino]-7-[(3R)-tetrahydro-3-furanyloxy]-6-quinazolinyl}-4-(dimethylamino)-2-butenamide [ACD/IUPAC Name]
N-{4-[(3-Chloro-4-fluorophényl)amino]-7-[(3R)-tétrahydro-3-furanyloxy]-6-quinazolinyl}-4-(diméthylamino)-2-buténamide [French] [ACD/IUPAC Name]
(R,E)-N-(4-((3-Chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide
439081-17-1 [RN]
945553-91-3 [RN]
MFCD18711941
N-?[4-?[(3-?chloro-?4-?fluorophenyl)?amino]?-?7-?[[(3R)?-?tetrahydro-?3-?furanyl]?oxy]?-?6-?quinazolinyl]?-?4-?(dimethylamino)?-2-?Butenamide

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): 1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.16
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 72.60
ACD/KOC (pH 7.4): 532.03
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


Advertisement