ChemSpider 2D Image | 4-{Bis[(~2~H_3_)methyl]amino}-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydro-3-furanyloxy]-6-quinazolinyl}-2-butenamide | C24H19D6ClFN5O3

4-{Bis[(2H3)methyl]amino}-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydro-3-furanyloxy]-6-quinazolinyl}-2-butenamide

  • Molecular FormulaC24H19D6ClFN5O3
  • Average mass491.975 Da
  • Monoisotopic mass491.200653 Da
  • ChemSpider ID57580224

  • 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

2-Butenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethyl-d3-amino)- [ACD/Index Name]
4-{Bis[(2H3)methyl]amino}-N-{4-[(3-chlor-4-fluorphenyl)amino]-7-[(3S)-tetrahydro-3-furanyloxy]-6-chinazolinyl}-2-butenamid [German] [ACD/IUPAC Name]
4-{Bis[(2H3)methyl]amino}-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydro-3-furanyloxy]-6-quinazolinyl}-2-butenamide [ACD/IUPAC Name]
4-{Bis[(2H3)méthyl]amino}-N-{4-[(3-chloro-4-fluorophényl)amino]-7-[(3S)-tétrahydro-3-furanyloxy]-6-quinazolinyl}-2-buténamide [French] [ACD/IUPAC Name]
(2E)?-N-?[4-?[(3-?chloro-?4-?fluorophenyl)?amino]?-?7-?[[(3S)?-?tetrahydro-?3-?furanyl]?oxy]?-?6-?quinazolinyl]?-?4-?[di(methyl-?d3)?amino]?-?2-?Butenamide
1313874-96-2 [RN]
Afatinib-d6

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


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